data_6vgt_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6vgt _Structure_validation_residue.Date_analyzed 2020-07-03 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.587 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 50.3 Cg_exo . . . . . 0 N--CA 1.49 1.282 0 CA-C-O 120.809 0.254 . . . . 0.0 112.491 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.6 t -61.31 -72.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.995 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 16.0 p -65.36 -44.42 87.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.574 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . -54.55 -45.82 73.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.529 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.587 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 39.6 t -63.85 -44.35 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.589 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.8 88.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.531 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.834 0.35 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.57 91.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.24 -47.1 87.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.635 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.609 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.566 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 120.722 0.296 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -50.63 72.79 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.127 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' ALA . 91.1 m . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.296 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.527 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.877 0.37 . . . . 0.0 110.68 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.527 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 80.0 t80 -61.18 -46.24 91.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.646 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.465 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 2.5 t -62.59 -45.4 93.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.434 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.44 ' N ' HG22 ' A' ' 27' ' ' THR . . . -65.08 -43.2 96.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.574 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 2.3 t . . . . . 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.553 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 27' ' ' THR . 41.9 t . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 28' ' ' GLY . 24.5 t -64.32 -46.27 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.029 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.574 ' CG1' ' O ' ' A' ' 29' ' ' VAL . 21.6 m . . . . . 0 C--N 1.328 -0.359 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 35' ' ' LEU . 42.4 tp . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 120.553 0.216 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -66.12 -47.22 74.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.622 0.249 . . . . 0.0 111.299 179.573 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -117.74 -30.31 5.48 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 111.529 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.634 -179.531 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo . . . . . 0 N--CA 1.485 0.994 0 CA-C-O 120.721 0.217 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.52 -47.58 90.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.557 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 83.8 m -69.35 -42.15 75.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.715 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.09 97.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.646 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.2 -44.31 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.765 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.66 -39.01 93.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.651 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.741 0.305 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -65.85 -38.19 88.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 9' ' ' ALA . . . -63.12 -40.31 97.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.674 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.61 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.7 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.04 0 CA-C-O 120.93 0.395 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.07 78.97 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.61 ' N ' ' O ' ' A' ' 14' ' ' ALA . 66.1 m . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.569 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 110.766 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -64.92 -31.77 73.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.41 -179.637 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.547 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 21.4 m -63.26 -49.86 72.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.596 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.01 -45.57 62.3 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.541 ' O ' HG11 ' A' ' 32' ' ' VAL . 55.5 t . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.784 0.326 . . . . 0.0 110.433 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 27' ' ' THR . 25.0 t . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.688 0.28 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.561 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -62.27 -44.28 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 -179.75 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.561 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 27.8 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.5 tp . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 75.3 mmtt -101.72 -53.53 2.95 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.152 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -101.54 -14.57 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.465 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.3 m . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.448 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.512 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 50.2 Cg_exo . . . . . 0 N--CA 1.489 1.225 0 CA-C-O 120.788 0.245 . . . . 0.0 112.222 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.54 ' O ' HG11 ' A' ' 7' ' ' VAL . 75.9 t -63.32 -46.97 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.479 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.7 m -69.73 -43.15 72.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.637 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.84 92.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.003 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.54 HG11 ' O ' ' A' ' 4' ' ' VAL . 0.7 OUTLIER -65.28 -42.91 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.489 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.524 ' N ' ' CG1' ' A' ' 7' ' ' VAL . . . -64.1 -37.85 88.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.65 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.848 0.356 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.507 ' HB1' ' O ' ' A' ' 8' ' ' ALA . . . -63.86 -38.05 89.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.64 84.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.759 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.86 0.362 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -77.1 -73.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.146 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.436 ' H ' ' HA ' ' A' ' 14' ' ' ALA . 13.2 p . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 121.145 0.497 . . . . 0.0 110.504 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.55 HD11 ' CG2' ' A' ' 29' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.991 0.425 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.452 ' H ' ' CG2' ' A' ' 25' ' ' ILE . 88.6 t80 -61.68 -44.86 96.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.507 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.447 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 20.8 m -60.65 -47.54 85.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.412 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.36 -40.11 97.54 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.55 ' CG2' HD11 ' A' ' 25' ' ' ILE . 41.2 t . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.749 0.309 . . . . 0.0 110.62 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.517 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.3 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.701 0.286 . . . . 0.0 110.52 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 55.9 t -63.01 -47.78 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.106 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 29' ' ' VAL . 1.3 p . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 120.976 0.417 . . . . 0.0 110.458 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 35.4 tp . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 75.7 mmtt -102.1 -51.74 3.32 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.802 0.334 . . . . 0.0 111.661 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -99.53 -16.47 18.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 111.493 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 75.9 m . . . . . 0 C--N 1.324 -0.539 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.639 -179.585 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.412 ' O ' HG23 ' A' ' 7' ' ' VAL . 50.3 Cg_exo . . . . . 0 N--CA 1.486 1.06 0 CA-C-O 120.688 0.203 . . . . 0.0 112.115 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.11 -47.66 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 97.7 m -69.49 -42.25 75.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.765 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.38 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.614 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 3' ' ' PRO . 55.4 t -65.36 -44.15 94.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.675 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.21 -37.02 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.593 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.76 0.314 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -62.13 -41.03 97.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.558 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.8 80.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.654 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.568 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.834 0.349 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.1 81.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 81.2 m . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.701 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.521 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.821 0.343 . . . . 0.0 110.589 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.521 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -65.44 -28.96 69.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.623 179.788 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.481 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 19.8 m -63.26 -48.74 76.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.565 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.87 -45.52 73.56 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.528 ' O ' HG21 ' A' ' 33' ' ' VAL . 30.4 t . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.806 0.336 . . . . 0.0 110.666 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' A' ' 27' ' ' THR . 2.3 t . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.783 0.325 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.8 t -64.0 -44.86 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 29' ' ' VAL . 21.7 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.62 ' CD1' ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.458 0 CA-C-O 120.876 0.37 . . . . 0.0 110.488 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 73.5 mmtt -63.79 -37.63 88.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.979 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' VAL . 95.8 m-70 -114.61 -63.2 1.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.321 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.637 ' SG ' ' O ' ' A' ' 38' ' ' CYS . 1.8 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.956 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo . . . . . 0 N--CA 1.491 1.379 0 CA-C-O 120.824 0.26 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.4 -47.57 92.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.621 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 68.4 m -68.39 -39.08 81.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.17 91.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.76 -45.19 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.626 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.07 97.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.746 0.308 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.91 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.29 -36.05 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.631 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.626 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.302 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.866 0.365 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.1 -50.6 72.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.643 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.626 ' N ' ' O ' ' A' ' 14' ' ' ALA . 98.9 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.566 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.818 0.342 . . . . 0.0 110.764 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -59.95 -46.12 90.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.567 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.478 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 74.2 p -58.81 -46.48 87.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.41 92.99 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.571 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 2.4 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.57 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.547 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.2 t . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.882 0.372 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.494 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 45.4 t -64.32 -47.93 87.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.672 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.571 ' CG1' ' O ' ' A' ' 29' ' ' VAL . 1.2 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.547 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 13.2 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.853 0.358 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.89 -46.46 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -103.4 -24.13 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.748 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 C--O 1.218 -0.569 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.763 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo . . . . . 0 N--CA 1.488 1.147 0 CA-C-O 120.784 0.243 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 7' ' ' VAL . 15.6 m -64.28 -38.92 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.497 ' N ' HG21 ' A' ' 4' ' ' VAL . 4.6 m -67.06 -41.57 86.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.591 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.14 -46.91 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -64.52 -41.78 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.517 ' N ' ' CG1' ' A' ' 7' ' ' VAL . . . -63.83 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.552 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.775 0.321 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.55 87.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.91 -66.25 0.58 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.515 ' HA ' ' H ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.884 0.373 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -74.58 -73.34 0.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.515 ' H ' ' HA ' ' A' ' 14' ' ' ALA . 16.3 p . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.733 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.505 ' CG2' ' H ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.907 0.384 . . . . 0.0 110.793 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.505 ' H ' ' CG2' ' A' ' 25' ' ' ILE . 84.0 t80 -60.07 -45.55 92.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.441 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.43 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 97.0 m -61.26 -48.13 82.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.553 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.49 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -66.66 -41.94 93.6 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 33' ' ' VAL . 30.5 t . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.773 0.32 . . . . 0.0 110.74 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 27' ' ' THR . 40.8 t . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.703 0.287 . . . . 0.0 110.613 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 28' ' ' GLY . 41.6 t -62.55 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.725 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 29' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 tp . . . . . 0 C--O 1.233 0.19 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -102.15 -51.84 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.116 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -98.63 -19.33 17.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.9 m . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.609 -179.813 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.512 ' O ' HG23 ' A' ' 7' ' ' VAL . 50.0 Cg_exo . . . . . 0 N--CA 1.489 1.264 0 CA-C-O 120.863 0.276 . . . . 0.0 112.185 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.12 -45.71 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.642 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.5 m -65.54 -39.27 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.43 94.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.704 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 3' ' ' PRO . 55.7 t -63.71 -44.75 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.567 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.401 ' O ' ' HB1' ' A' ' 12' ' ' ALA . . . -63.8 -38.79 92.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.531 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.519 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.783 0.325 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 8' ' ' ALA . . . -64.46 -38.44 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.94 -37.91 89.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.449 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.615 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 120.621 0.248 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.33 -48.85 80.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.107 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 14' ' ' ALA . 66.7 m . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.33 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.526 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.025 0.44 . . . . 0.0 110.097 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -58.76 -44.36 90.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.617 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.452 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 96.5 m -59.98 -45.61 92.16 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.237 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.516 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -64.86 -39.02 96.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.526 HG22 ' CD1' ' A' ' 25' ' ' ILE . 38.5 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.809 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 27' ' ' THR . 2.3 t . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.725 0.298 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.516 HG11 ' O ' ' A' ' 28' ' ' GLY . 12.4 p -63.58 -45.04 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.514 ' N ' HG13 ' A' ' 32' ' ' VAL . 29.5 m . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.404 HD23 HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.446 -0.667 0 CA-C-O 120.889 0.376 . . . . 0.0 110.449 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -100.61 -52.7 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.034 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -99.29 -17.25 18.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.538 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.7 m . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.59 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 N--CA 1.493 1.491 0 CA-C-O 120.779 0.241 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.443 HG21 ' N ' ' A' ' 5' ' ' CYS . 8.2 m -64.59 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.912 0.387 . . . . 0.0 110.457 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.443 ' N ' HG21 ' A' ' 4' ' ' VAL . 4.7 m -64.46 -41.3 96.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.638 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.19 93.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.91 -45.6 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.527 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.72 90.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.652 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.844 0.355 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.29 93.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.653 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.97 89.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.617 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.532 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.781 0.324 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.91 -49.43 77.84 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.039 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.617 ' N ' ' O ' ' A' ' 14' ' ' ALA . 91.7 m . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.421 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.856 0.36 . . . . 0.0 110.554 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.529 ' O ' HG11 ' A' ' 29' ' ' VAL . 81.5 t80 -60.51 -45.8 92.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.522 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.575 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 51.1 p -66.32 -33.15 75.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.461 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.93 -43.41 93.75 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.582 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.814 0.34 . . . . 0.0 110.69 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.575 ' CG2' ' O ' ' A' ' 27' ' ' THR . 45.8 t . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.772 0.32 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.575 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 54.5 t -64.51 -48.51 84.72 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.899 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.582 ' CG1' ' O ' ' A' ' 29' ' ' VAL . 1.1 p . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.017 0.437 . . . . 0.0 110.412 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.491 ' N ' HD22 ' A' ' 35' ' ' LEU . 3.4 mm? . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.967 0.413 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 67.7 mmtt -61.56 -38.93 89.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.416 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -127.19 -65.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.534 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.649 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.873 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.527 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 36.4 Cg_endo . . . . . 0 N--CA 1.479 0.666 0 CA-C-O 120.732 0.222 . . . . 0.0 112.418 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.1 -48.95 83.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.963 0.411 . . . . 0.0 110.729 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.608 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 11.6 p -83.78 -43.66 15.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.608 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . -57.15 -47.08 82.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.47 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 66.2 t -65.22 -45.98 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.641 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.03 97.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.651 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.81 0.338 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.16 93.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.608 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.91 89.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.725 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.619 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.774 0.321 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.63 72.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.619 ' N ' ' O ' ' A' ' 14' ' ' ALA . 97.3 m . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.427 . . . . 0.0 110.569 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.543 ' CD1' ' CG2' ' A' ' 29' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.947 0.403 . . . . 0.0 110.603 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.522 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 87.7 t80 -60.61 -44.41 96.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.486 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 94.1 m -57.82 -48.75 78.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.437 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.528 ' O ' HG12 ' A' ' 31' ' ' VAL . . . -66.06 -37.06 92.76 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.543 ' CG2' ' CD1' ' A' ' 25' ' ' ILE . 62.6 t . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 110.653 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.583 ' CG1' ' N ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.82 0.343 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.587 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -62.19 -46.18 97.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.639 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.587 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 21.0 m . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.289 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.4 tp . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.582 0.23 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 97.5 mttt -61.98 -37.89 86.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.83 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -120.06 -61.03 1.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.392 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 38' ' ' CYS . 1.4 p . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.119 -0.944 . . . . 0.0 110.974 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.571 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 53.0 Cg_exo . . . . . 0 N--CA 1.489 1.238 0 CA-C-O 120.781 0.242 . . . . 0.0 112.137 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 79.2 t -61.56 -47.38 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.065 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.91 -53.46 6.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.316 0.579 . . . . 0.0 110.638 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.43 -46.55 63.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.527 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.571 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 78.3 t -63.82 -45.14 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.469 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.82 92.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.682 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.557 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.846 0.355 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.87 89.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.621 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.59 87.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.661 0.267 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.83 -50.32 72.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.268 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 88.1 m . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.09 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.519 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.002 0.429 . . . . 0.0 110.686 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.507 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 85.2 t80 -60.79 -43.66 97.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.382 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.54 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 19.8 m -58.9 -46.23 88.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.396 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.503 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -65.35 -42.12 96.23 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.564 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 43.7 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.786 0.327 . . . . 0.0 110.94 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.54 ' CG2' ' O ' ' A' ' 27' ' ' THR . 56.1 t . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 120.811 0.338 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.564 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 2.3 t -62.79 -49.67 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.046 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.704 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.564 ' CG1' ' O ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 120.968 0.413 . . . . 0.0 109.979 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 tp . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.821 0.344 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 71.0 mmtt -61.62 -39.04 89.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -117.8 -58.37 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.74 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.622 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.6 p . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.933 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.419 ' O ' HG21 ' A' ' 7' ' ' VAL . 50.4 Cg_exo . . . . . 0 N--CA 1.49 1.302 0 CA-C-O 120.868 0.278 . . . . 0.0 112.123 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.92 -45.98 95.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.512 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.8 m -64.91 -38.63 91.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.595 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.44 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 3' ' ' PRO . 55.8 t -63.36 -45.36 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.16 90.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.533 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.773 0.321 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.32 -19.88 55.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -64.78 -38.0 89.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.608 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.698 0.285 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.74 -49.74 76.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.134 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.608 ' N ' ' O ' ' A' ' 14' ' ' ALA . 96.6 m . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.431 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.537 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.842 0.354 . . . . 0.0 110.645 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.526 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 90.3 t80 -61.09 -44.6 97.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.662 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.411 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 95.8 m -60.92 -46.34 91.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.318 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.4 ' O ' HG22 ' A' ' 32' ' ' VAL . . . -66.21 -42.5 94.24 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.537 HG22 ' CD1' ' A' ' 25' ' ' ILE . 30.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.29 . . . . 0.0 110.83 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 27' ' ' THR . 27.3 t . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.797 0.332 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.568 ' CG1' ' HE3' ' A' ' 36' ' ' LYS . 23.8 t -63.44 -45.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 29' ' ' VAL . 26.8 m . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.092 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 48.9 tp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HE3' ' CG1' ' A' ' 32' ' ' VAL . 97.8 mttt -62.02 -39.63 92.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -120.04 -83.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.13 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.631 ' SG ' ' O ' ' A' ' 38' ' ' CYS . 1.5 p . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.748 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.524 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 50.2 Cg_exo . . . . . 0 N--CA 1.49 1.298 0 CA-C-O 120.872 0.28 . . . . 0.0 112.285 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.7 t -61.58 -47.56 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.316 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -62.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.105 0.478 . . . . 0.0 110.508 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -39.83 -48.27 2.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.497 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 51.5 t -64.09 -44.96 97.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.58 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.576 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.08 -37.94 89.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.533 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.607 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.805 0.336 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -64.4 -37.9 89.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.71 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.58 98.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.607 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.615 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.468 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.637 0.256 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.8 83.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.143 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 14' ' ' ALA . 85.4 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.528 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.956 0.408 . . . . 0.0 110.548 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.53 ' O ' HG12 ' A' ' 29' ' ' VAL . 87.1 t80 -60.5 -46.06 91.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.443 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.58 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 52.6 p -66.79 -33.37 75.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.489 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.588 ' O ' ' CG1' ' A' ' 32' ' ' VAL . . . -65.16 -45.65 90.8 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.568 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.798 0.332 . . . . 0.0 110.652 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.588 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 24.3 t . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.665 0.269 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' CG1' ' O ' ' A' ' 28' ' ' GLY . 5.0 m -65.75 -47.83 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.1 p . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.588 ' CD2' ' O ' ' A' ' 31' ' ' VAL . 3.7 mm? . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.655 ' C ' ' CG ' ' A' ' 37' ' ' HIS . 75.7 mmtt -65.18 -44.59 87.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.571 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.655 ' CG ' ' C ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER 165.39 86.07 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.872 179.028 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo . . . . . 0 N--CA 1.485 1.002 0 CA-C-O 120.805 0.252 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.99 -45.34 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.2 m -64.38 -42.42 96.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.13 95.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.545 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.14 -45.17 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.575 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -64.28 -37.61 88.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.596 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.534 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.813 0.339 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -64.75 -37.95 89.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.498 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.76 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.598 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.22 0 CA-C-O 120.715 0.293 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.13 89.51 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.681 -178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.598 ' N ' ' O ' ' A' ' 14' ' ' ALA . 38.8 m . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.343 . . . . 0.0 110.379 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.54 HD11 ' CG2' ' A' ' 29' ' ' VAL . 0.4 OUTLIER . . . . . 0 CA--C 1.52 -0.208 0 CA-C-O 121.124 0.488 . . . . 0.0 110.806 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.45 ' H ' ' CG2' ' A' ' 25' ' ' ILE . 71.7 t80 -61.71 -43.72 98.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.334 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 82.3 m -60.83 -46.1 91.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.396 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.424 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -66.0 -42.4 94.73 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.54 ' CG2' HD11 ' A' ' 25' ' ' ILE . 25.5 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.298 . . . . 0.0 110.979 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 27' ' ' THR . 35.4 t . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.865 0.365 . . . . 0.0 110.666 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.539 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 2.1 t -63.48 -45.43 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 29' ' ' VAL . 29.1 m . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.1 tp . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.807 0.337 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 97.9 mttt -62.81 -37.85 88.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.333 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -118.19 -56.94 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.985 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.551 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.9 p . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.975 -1.012 . . . . 0.0 111.029 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 N--CA 1.489 1.245 0 CA-C-O 120.805 0.252 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.7 t -63.66 -46.08 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.632 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.3 m -63.8 -37.09 86.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.537 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.42 91.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.745 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.08 -44.55 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.639 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.49 -34.79 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.49 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.467 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.85 0.357 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.26 -34.24 23.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.667 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 -27.23 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.593 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.749 0.309 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.97 -47.65 83.88 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.146 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 93.4 m . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.557 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 121.371 0.605 . . . . 0.0 110.765 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -55.46 -42.78 74.75 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.431 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.566 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 97.0 m -58.34 -45.2 88.58 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.451 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 32' ' ' VAL . . . -65.96 -43.74 93.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.554 ' CG2' HD12 ' A' ' 25' ' ' ILE . 23.8 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.776 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.566 ' CG2' ' O ' ' A' ' 27' ' ' THR . 39.3 t . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.809 0.338 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 21.9 t -63.76 -44.25 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.514 HG21 ' O ' ' A' ' 29' ' ' VAL . 16.1 m . . . . . 0 C--N 1.323 -0.582 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.135 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 41.4 tp . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.697 0.284 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 73.4 mmtt -63.74 -39.27 93.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 33' ' ' VAL . 97.2 m-70 -113.54 -60.11 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.592 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.9 p . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.019 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo . . . . . 0 N--CA 1.496 1.63 0 CA-C-O 120.814 0.256 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.3 t -63.56 -45.99 96.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.661 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.0 m -65.83 -39.68 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.552 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.91 97.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.68 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.9 t -62.97 -44.89 99.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.74 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.88 92.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.615 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.784 0.326 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.0 85.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.651 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -62.23 -39.6 93.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.692 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.617 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.731 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 121.107 0.48 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.34 73.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.812 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.617 ' N ' ' O ' ' A' ' 14' ' ' ALA . 92.5 m . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.791 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.518 HD11 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.46 0.029 0 CA-C-O 120.75 0.31 . . . . 0.0 110.786 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.419 ' H ' HG21 ' A' ' 25' ' ' ILE . 20.8 t80 -60.03 -33.05 71.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.454 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.498 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 20.6 m -62.45 -46.03 90.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.46 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.539 ' O ' ' CG1' ' A' ' 32' ' ' VAL . . . -65.56 -42.61 95.52 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.527 ' O ' HG12 ' A' ' 32' ' ' VAL . 2.4 t . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 110.482 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.532 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 42.4 t . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.812 0.339 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.539 ' CG1' ' O ' ' A' ' 28' ' ' GLY . 8.4 p -63.21 -46.13 96.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.741 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 29' ' ' VAL . 2.2 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 14.5 tp . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.994 0.426 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -94.24 -47.67 6.53 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.211 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -103.05 -24.56 13.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.47 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.2 m . . . . . 0 C--N 1.32 -0.686 0 CA-C-O 117.861 -1.066 . . . . 0.0 110.638 179.819 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.535 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 36.6 Cg_endo . . . . . 0 N--CA 1.479 0.626 0 CA-C-O 120.651 0.188 . . . . 0.0 112.258 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.74 -49.45 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.796 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 11.1 p -83.95 -43.05 15.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.589 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . -57.64 -48.23 80.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.511 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 74.7 t -64.83 -44.99 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.451 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.9 99.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.496 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.758 0.313 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.36 -39.34 93.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.533 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.36 68.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.771 0.32 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.94 78.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.008 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.621 ' N ' ' O ' ' A' ' 14' ' ' ALA . 93.1 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.568 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.55 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.847 0.355 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.481 ' H ' ' CG2' ' A' ' 25' ' ' ILE . 89.8 t80 -58.75 -44.18 90.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.395 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.608 ' O ' ' C ' ' A' ' 28' ' ' GLY . 82.7 p -60.43 -97.79 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.305 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.29 -55.07 0.01 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' A' ' 25' ' ' ILE . 13.4 t . . . . . 0 C--N 1.333 -0.151 0 CA-C-O 120.889 0.376 . . . . 0.0 111.597 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.527 HG12 ' C ' ' A' ' 27' ' ' THR . 2.2 m . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.646 0.26 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.615 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 2.1 t -63.23 -47.44 92.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.516 HG21 ' O ' ' A' ' 29' ' ' VAL . 20.5 m . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.349 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.2 tp . . . . . 0 N--CA 1.451 -0.416 0 CA-C-O 120.546 0.212 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.615 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 54.4 tptt -64.24 -35.44 80.84 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.759 0.314 . . . . 0.0 110.618 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' VAL . 99.8 m-70 -120.89 -60.09 1.68 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.461 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.637 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.6 p . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.778 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo . . . . . 0 N--CA 1.482 0.822 0 CA-C-O 120.739 0.225 . . . . 0.0 112.099 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.3 t -64.51 -47.49 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.1 m -69.07 -42.94 75.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.638 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.82 84.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.654 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.22 -45.79 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-O 120.894 0.378 . . . . 0.0 110.732 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -62.57 -38.02 88.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.527 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 179.902 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.814 0.34 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 8' ' ' ALA . . . -66.15 -35.71 81.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.558 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.44 -38.75 85.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.517 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.571 ' O ' ' N ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.796 0.331 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -82.81 -72.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.878 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.46 ' H ' ' HA ' ' A' ' 14' ' ' ALA . 14.2 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.231 0.538 . . . . 0.0 110.456 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.525 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.967 0.413 . . . . 0.0 110.682 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.525 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 87.8 t80 -61.39 -44.92 96.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 19.7 m -59.68 -46.73 88.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.447 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.43 -41.81 96.23 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.523 ' O ' HG21 ' A' ' 33' ' ' VAL . 24.3 t . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.755 0.312 . . . . 0.0 110.733 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 27' ' ' THR . 24.5 t . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.778 0.323 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.59 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 2.1 t -62.39 -45.86 97.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 29' ' ' VAL . 16.7 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.326 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.6 tp . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.59 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 61.4 tttp -63.19 -33.7 76.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.816 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' VAL . 99.4 m-70 -124.36 -60.83 1.38 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.339 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.638 ' SG ' ' O ' ' A' ' 38' ' ' CYS . 1.6 p . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.818 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo . . . . . 0 N--CA 1.483 0.891 0 CA-C-O 120.768 0.237 . . . . 0.0 112.147 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.05 -47.28 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.53 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.7 m -68.57 -41.62 79.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.71 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.58 91.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.77 -44.84 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.667 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.7 88.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.766 0.317 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.48 94.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.58 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.96 -37.32 87.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.55 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.696 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.79 0.329 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -76.54 -72.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.128 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' H ' ' HA ' ' A' ' 14' ' ' ALA . 15.5 p . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 121.113 0.482 . . . . 0.0 110.472 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.515 ' CG2' ' H ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.845 0.355 . . . . 0.0 110.974 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.52 ' O ' HG13 ' A' ' 29' ' ' VAL . 87.7 t80 -60.16 -45.73 92.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.52 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.416 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 98.2 m -62.59 -45.61 92.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.522 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -65.28 -46.12 88.23 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.508 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.576 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.894 0.378 . . . . 0.0 110.645 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.565 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 54.3 t -62.95 -46.15 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.715 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.517 HG21 ' O ' ' A' ' 29' ' ' VAL . 29.2 m . . . . . 0 C--N 1.325 -0.461 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.943 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.576 ' CD2' ' O ' ' A' ' 31' ' ' VAL . 3.1 mm? . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.743 0.306 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 51.9 mtmt -65.11 -40.2 94.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.703 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.518 ' O ' ' O ' ' A' ' 38' ' ' CYS . 78.2 m-70 -117.58 -88.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.646 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.6 p . . . . . 0 C--O 1.218 -0.574 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.765 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.524 ' O ' HG21 ' A' ' 7' ' ' VAL . 31.7 Cg_endo . . . . . 0 N--CA 1.484 0.912 0 CA-C-O 120.77 0.238 . . . . 0.0 112.25 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.87 -47.48 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.595 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 90.9 m -67.02 -40.27 87.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.76 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.6 97.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.654 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.524 HG21 ' O ' ' A' ' 3' ' ' PRO . 51.1 t -65.18 -44.9 95.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.679 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.01 92.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.585 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.728 0.299 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.35 -39.04 93.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -64.77 -36.98 86.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.625 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.622 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.436 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.893 0.378 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -49.97 74.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.622 ' N ' ' O ' ' A' ' 14' ' ' ALA . 82.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.628 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.554 ' CD1' ' CG2' ' A' ' 29' ' ' VAL . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.894 0.378 . . . . 0.0 110.599 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.527 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 89.8 t80 -61.12 -44.48 97.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.378 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 77.9 m -59.82 -48.14 82.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.515 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.519 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -65.17 -41.26 97.03 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.554 ' CG2' ' CD1' ' A' ' 25' ' ' ILE . 29.6 t . . . . . 0 C--N 1.332 -0.183 0 CA-C-O 120.73 0.3 . . . . 0.0 110.598 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 27' ' ' THR . 42.8 t . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 110.744 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.61 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -61.75 -46.77 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.662 -179.467 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.61 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 1.4 p . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 35' ' ' LEU . 39.5 tp . . . . . 0 N--CA 1.457 -0.079 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.625 ' C ' ' CG ' ' A' ' 37' ' ' HIS . 98.7 mttt -80.41 -43.1 21.55 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.021 0.439 . . . . 0.0 110.608 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.663 ' CD2' ' N ' ' A' ' 37' ' ' HIS . 0.0 OUTLIER 161.94 107.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.008 -179.513 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.0 m . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.354 -179.393 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo . . . . . 0 N--CA 1.485 0.994 0 CA-C-O 120.858 0.274 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.43 -43.48 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.254 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 m -70.06 -41.19 74.48 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.81 -41.02 97.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.609 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.09 -47.38 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.64 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.35 -40.42 89.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.527 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.785 0.326 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.71 -17.02 30.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -63.95 -47.49 80.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.615 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.631 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.481 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.738 0.304 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.6 78.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.02 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.631 ' N ' ' O ' ' A' ' 14' ' ' ALA . 23.2 m . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.46 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.564 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.844 0.354 . . . . 0.0 110.671 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 86.6 t80 -62.05 -44.94 95.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.521 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.494 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 20.1 m -61.66 -46.54 89.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.31 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.458 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -65.42 -37.75 94.15 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.592 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 30.3 t . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.623 0.249 . . . . 0.0 110.721 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 27' ' ' THR . 53.3 t . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.69 0.281 . . . . 0.0 110.682 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.577 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 49.7 t -64.59 -49.95 78.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.592 ' CG1' ' O ' ' A' ' 29' ' ' VAL . 1.3 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.405 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 CA--C 1.523 -0.091 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 67.2 mmtt -62.46 -39.13 92.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.955 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -131.06 -54.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.306 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.679 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.222 -0.381 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.966 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.651 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.651 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.587 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 50.3 Cg_exo -54.17 -37.33 87.47 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.846 2.364 . . . . 0.0 112.491 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 1' ' ' ABA . 11.6 t -61.31 -72.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.995 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 16.0 p -65.36 -44.42 87.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.606 ' CB ' ' O ' ' A' ' 2' ' ' DBU . . . -54.55 -45.82 73.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.529 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.587 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 39.6 t -63.85 -44.35 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.589 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.8 88.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.88 89.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.531 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.44 91.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.592 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.57 91.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.24 -47.1 87.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.635 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.74 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.68 -35.17 79.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.566 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.74 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 20' ' ' TRP . . . -90.48 -48.64 6.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.925 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -50.63 72.79 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.127 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' ALA . 91.1 m -62.96 -42.22 99.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.296 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.32 -24.89 67.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.539 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.0 t90 -61.26 -50.62 72.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.997 0.427 . . . . 0.0 110.744 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.3 t -72.83 76.22 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.334 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.01 7.19 64.54 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.422 ' O ' HG23 ' A' ' 27' ' ' THR . . . -143.9 -40.19 0.06 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.582 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . -64.28 -39.6 97.17 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.527 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -66.91 -42.36 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.68 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.527 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 80.0 t80 -61.18 -46.24 91.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.646 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.582 ' CG2' ' O ' ' A' ' 24' ' ' GLY . 2.5 t -62.59 -45.4 93.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.434 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.44 ' N ' HG22 ' A' ' 27' ' ' THR . . . -65.08 -43.2 96.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.574 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 2.3 t -63.8 -46.24 94.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.553 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.55 ' C ' HG21 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 27' ' ' THR . 41.9 t -64.72 -45.75 94.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.702 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 28' ' ' GLY . 24.5 t -64.32 -46.27 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.029 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.574 ' CG1' ' O ' ' A' ' 29' ' ' VAL . 21.6 m -63.88 -45.01 98.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.689 ' C ' ' HB2' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 34' ' ' DAL . 42.4 tp -29.26 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.751 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.604 ' N ' ' O ' ' A' ' 34' ' ' DAL . 0.9 OUTLIER -66.12 -47.22 74.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.622 0.249 . . . . 0.0 111.299 179.573 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.603 ' N ' ' O ' ' A' ' 34' ' ' DAL . 89.4 m-70 -117.74 -30.31 5.48 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 111.529 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.689 ' HB2' ' C ' ' A' ' 34' ' ' DAL . 53.2 m . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.634 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.62 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.62 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 48.4 Cg_exo -55.14 -38.64 93.43 Favored 'Trans proline' 0 C--N 1.303 -1.837 0 C-N-CA 123.068 2.512 . . . . 0.0 112.058 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 1' ' ' ABA . 53.3 t -63.52 -47.58 90.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.557 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 83.8 m -69.35 -42.15 75.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.715 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.09 97.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.646 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.2 -44.31 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.765 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.66 -39.01 93.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.651 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 13' ' ' ALA . . . -64.18 -37.25 86.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.05 97.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.575 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -65.85 -38.19 88.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 9' ' ' ALA . . . -63.12 -40.31 97.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.674 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.718 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -64.49 -36.24 83.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.7 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.718 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 20' ' ' TRP . . . -91.88 -50.14 5.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.932 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -60.84 -49.07 78.97 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.61 ' N ' ' O ' ' A' ' 14' ' ' ALA . 66.1 m -61.14 -38.34 86.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.91 -65.9 1.57 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.528 ' N ' ' O ' ' A' ' 16' ' ' ALA . 12.8 m95 -58.77 -39.06 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.574 0.226 . . . . 0.0 110.918 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.552 HG22 ' N ' ' A' ' 25' ' ' ILE . 12.6 p 36.93 37.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.728 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.41 6.21 1.86 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.594 -1.003 . . . . 0.0 110.594 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.567 ' O ' ' OG1' ' A' ' 27' ' ' THR . . . -132.29 23.89 4.03 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.546 ' O ' HG21 ' A' ' 25' ' ' ILE . . . 69.7 4.01 44.56 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.569 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER 69.83 -49.07 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 110.766 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -64.92 -31.77 73.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.41 -179.637 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.567 ' OG1' ' O ' ' A' ' 23' ' ' GLY . 21.4 m -63.26 -49.86 72.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.596 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.01 -45.57 62.3 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.541 ' O ' HG11 ' A' ' 32' ' ' VAL . 55.5 t -65.76 -43.04 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-O 120.784 0.326 . . . . 0.0 110.433 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.579 ' C ' HG23 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 27' ' ' THR . 25.0 t -65.25 -44.81 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.768 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.561 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -62.27 -44.28 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 -179.75 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.579 HG23 ' C ' ' A' ' 30' ' ' DBU . 27.8 m -64.8 -43.1 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.686 ' C ' ' HB2' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.5 tp -49.0 -11.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.315 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.607 ' H ' ' C ' ' A' ' 34' ' ' DAL . 75.3 mmtt -101.72 -53.53 2.95 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.152 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -101.54 -14.57 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.465 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.686 ' HB2' ' C ' ' A' ' 34' ' ' DAL . 79.3 m . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.448 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.463 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.491 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.512 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 50.2 Cg_exo -55.28 -41.52 77.49 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.131 2.554 . . . . 0.0 112.222 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.54 ' O ' HG11 ' A' ' 7' ' ' VAL . 75.9 t -63.32 -46.97 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.479 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.7 m -69.73 -43.15 72.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.637 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.84 92.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.003 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.54 HG11 ' O ' ' A' ' 4' ' ' VAL . 0.7 OUTLIER -65.28 -42.91 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.489 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.524 ' N ' ' CG1' ' A' ' 7' ' ' VAL . . . -64.1 -37.85 88.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.65 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.12 89.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.08 -37.46 87.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.556 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.507 ' HB1' ' O ' ' A' ' 8' ' ' ALA . . . -63.86 -38.05 89.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.64 84.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.759 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.648 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.01 -46.55 87.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.648 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.66 ' O ' ' CG ' ' A' ' 20' ' ' TRP . . . -83.44 -51.14 7.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.245 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.538 ' O ' ' CG1' ' A' ' 21' ' ' VAL . . . -77.1 -73.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.146 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.654 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 13.2 p -58.4 -46.34 86.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.145 0.497 . . . . 0.0 110.504 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.654 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -55.62 -43.87 86.09 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.66 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 9.6 m0 -65.56 -46.75 78.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.895 0.378 . . . . 0.0 110.548 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.585 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -78.3 -80.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.655 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.518 ' N ' HG22 ' A' ' 21' ' ' VAL . . . 42.28 15.65 0.02 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 21' ' ' VAL . . . 71.92 -1.78 29.54 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.42 -35.55 92.1 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.55 HD11 ' CG2' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -59.51 -55.76 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.991 0.425 . . . . 0.0 111.108 -179.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.452 ' H ' ' CG2' ' A' ' 25' ' ' ILE . 88.6 t80 -61.68 -44.86 96.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.507 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.447 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 20.8 m -60.65 -47.54 85.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.412 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.36 -40.11 97.54 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.55 ' CG2' HD11 ' A' ' 25' ' ' ILE . 41.2 t -63.98 -45.81 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 120.749 0.309 . . . . 0.0 110.62 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.564 ' O ' HG12 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.517 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.3 t -66.7 -46.05 86.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.52 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 55.9 t -63.01 -47.78 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.106 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 30' ' ' DBU . 1.3 p -60.76 -57.35 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 120.976 0.417 . . . . 0.0 110.458 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.637 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 35.4 tp -50.79 -14.51 0.21 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.169 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 34' ' ' DAL . 75.7 mmtt -102.1 -51.74 3.32 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.802 0.334 . . . . 0.0 111.661 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -99.53 -16.47 18.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 111.493 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.637 ' N ' ' O ' ' A' ' 34' ' ' DAL . 75.9 m . . . . . 0 C--N 1.324 -0.539 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.639 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.557 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.557 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 50.3 Cg_exo -54.84 -40.93 82.77 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.877 2.384 . . . . 0.0 112.115 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.11 -47.66 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 97.7 m -69.49 -42.25 75.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.765 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.38 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.614 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 3' ' ' PRO . 55.4 t -65.36 -44.15 94.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.675 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.21 -37.02 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.593 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.71 95.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.12 -36.88 85.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.507 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -62.13 -41.03 97.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.558 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.8 80.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.654 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.69 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -66.84 -38.78 87.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.568 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.69 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.645 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -91.88 -57.54 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.786 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.518 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . -62.09 -48.1 81.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 81.2 m -59.59 -35.71 74.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.701 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.1 -47.77 6.86 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.645 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 50.5 m95 -65.44 -49.76 67.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.679 0.276 . . . . 0.0 110.85 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.599 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 3.0 m -28.71 89.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.684 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -89.15 -23.93 33.31 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.41 -47.8 1.78 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.05 -41.86 99.73 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.521 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -65.86 -41.84 90.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 110.589 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.521 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -65.44 -28.96 69.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.623 179.788 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.481 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 19.8 m -63.26 -48.74 76.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.565 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.87 -45.52 73.56 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.528 ' O ' HG21 ' A' ' 33' ' ' VAL . 30.4 t -65.14 -44.45 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-O 120.806 0.336 . . . . 0.0 110.666 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.62 ' C ' HG21 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' A' ' 27' ' ' THR . 2.3 t -63.92 -46.37 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.529 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.8 t -64.0 -44.86 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.62 HG21 ' C ' ' A' ' 30' ' ' DBU . 21.7 m -61.39 -41.56 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.662 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.62 ' CD1' ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -61.22 -42.45 98.62 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.488 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 73.5 mmtt -63.79 -37.63 88.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.979 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' VAL . 95.8 m-70 -114.61 -63.2 1.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.321 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.662 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.8 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.956 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.544 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.544 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 41.9 Cg_exo -55.63 -40.09 87.34 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.814 2.343 . . . . 0.0 112.121 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.4 -47.57 92.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.621 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 68.4 m -68.39 -39.08 81.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.17 91.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.76 -45.19 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.626 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.07 97.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.38 87.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.85 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.53 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.91 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.29 -36.05 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.631 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.699 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -61.36 -38.27 86.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.699 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.438 ' O ' ' HD1' ' A' ' 20' ' ' TRP . . . -92.09 -52.65 4.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.624 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.1 -50.6 72.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.643 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.626 ' N ' ' O ' ' A' ' 14' ' ' ALA . 98.9 m -60.44 -41.29 93.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.88 -50.03 63.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.532 ' O ' ' C ' ' A' ' 21' ' ' VAL . 22.2 m95 -67.35 -38.5 84.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.324 . . . . 0.0 110.576 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.575 ' CG2' ' CG2' ' A' ' 25' ' ' ILE . 12.3 p 27.56 80.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.51 10.73 21.75 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.585 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 105.17 -21.44 35.57 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.71 -43.91 83.06 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.575 ' CG2' ' CG2' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -66.77 -48.54 79.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 110.764 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -59.95 -46.12 90.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.567 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.585 ' CG2' ' O ' ' A' ' 23' ' ' GLY . 74.2 p -58.81 -46.48 87.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.41 92.99 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.571 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 2.4 t -65.07 -45.29 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.57 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.628 ' C ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.547 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.2 t -69.08 -46.27 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.585 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.494 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 45.4 t -64.32 -47.93 87.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.672 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.628 HG11 ' C ' ' A' ' 30' ' ' DBU . 1.2 p -50.99 -68.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.763 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.547 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 13.2 tp -59.55 -24.02 63.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.538 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.89 -46.46 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -103.4 -24.13 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.748 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.763 ' N ' ' O ' ' A' ' 34' ' ' DAL . 56.2 m . . . . . 0 C--O 1.218 -0.569 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.763 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.618 ' O ' ' CG2' ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.425 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 48.1 Cg_exo -54.55 -49.59 16.3 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.869 2.379 . . . . 0.0 112.523 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.618 ' CG2' ' O ' ' A' ' 1' ' ' ABA . 15.6 m -64.28 -38.92 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.497 ' N ' HG21 ' A' ' 4' ' ' VAL . 4.6 m -67.06 -41.57 86.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.591 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.14 -46.91 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -64.52 -41.78 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.517 ' N ' ' CG1' ' A' ' 7' ' ' VAL . . . -63.83 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.552 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.39 90.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.46 ' O ' ' HB1' ' A' ' 15' ' ' DHA . . . -63.0 -39.31 94.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.568 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.55 87.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.91 -66.25 0.58 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.702 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.64 -38.94 93.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.702 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.641 ' O ' ' CB ' ' A' ' 20' ' ' TRP . . . -88.05 -43.54 11.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.578 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.586 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . -74.58 -73.34 0.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.651 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 16.3 p -63.75 -48.93 75.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.733 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.651 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -56.14 -57.29 19.85 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.641 ' CB ' ' O ' ' A' ' 16' ' ' ALA . 10.6 t-105 -64.83 -45.09 87.64 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.716 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.586 ' CG2' ' O ' ' A' ' 17' ' ' ALA . 54.4 t -61.11 -45.05 99.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.591 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.07 -16.34 0.05 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . -131.89 -23.42 0.87 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -65.59 -35.98 91.85 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.505 ' CG2' ' H ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -60.75 -68.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.793 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.505 ' H ' ' CG2' ' A' ' 25' ' ' ILE . 84.0 t80 -60.07 -45.55 92.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.441 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.549 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 97.0 m -61.26 -48.13 82.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.553 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.49 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -66.66 -41.94 93.6 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 33' ' ' VAL . 30.5 t -65.48 -44.33 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-O 120.773 0.32 . . . . 0.0 110.74 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.56 ' C ' HG23 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 27' ' ' THR . 40.8 t -64.5 -44.79 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.613 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 28' ' ' GLY . 41.6 t -62.55 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.725 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.56 HG23 ' C ' ' A' ' 30' ' ' DBU . 35.3 m -63.62 -44.12 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.689 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.18 -15.37 1.48 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.235 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' N ' ' C ' ' A' ' 34' ' ' DAL . 75.8 mmtt -102.15 -51.84 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.116 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -98.63 -19.33 17.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.689 ' N ' ' O ' ' A' ' 34' ' ' DAL . 74.9 m . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.609 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.545 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.545 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.512 ' O ' HG23 ' A' ' 7' ' ' VAL . 50.0 Cg_exo -55.0 -41.71 76.27 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 123.05 2.5 . . . . 0.0 112.185 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.12 -45.71 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.642 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.5 m -65.54 -39.27 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.43 94.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.704 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 3' ' ' PRO . 55.7 t -63.71 -44.75 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.567 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.401 ' O ' ' HB1' ' A' ' 12' ' ' ALA . . . -63.8 -38.79 92.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.531 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.01 89.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.519 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.12 93.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.645 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 8' ' ' ALA . . . -64.46 -38.44 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.94 -37.91 89.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.449 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.727 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.15 -36.59 84.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.727 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.633 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -90.56 -53.13 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.057 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.33 -48.85 80.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.107 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 14' ' ' ALA . 66.7 m -60.63 -38.07 83.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.33 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.39 -40.1 98.18 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.633 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 96.8 m95 -62.32 -40.82 97.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.732 0.301 . . . . 0.0 110.748 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.559 ' C ' ' H ' ' A' ' 23' ' ' GLY . 8.5 p 30.67 42.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.682 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -57.78 -1.62 0.63 Allowed Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.591 -1.003 . . . . 0.0 110.591 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 24' ' ' GLY . . . -165.43 52.72 0.27 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . 54.7 116.05 0.01 OUTLIER Glycine 0 CA--C 1.521 0.451 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.526 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -36.79 -27.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.025 0.44 . . . . 0.0 110.097 -179.729 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' N ' ' O ' ' A' ' 24' ' ' GLY . 91.9 t80 -58.76 -44.36 90.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.617 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.552 ' HB ' ' O ' ' A' ' 23' ' ' GLY . 96.5 m -59.98 -45.61 92.16 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.237 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.516 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -64.86 -39.02 96.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.526 HG22 ' CD1' ' A' ' 25' ' ' ILE . 38.5 t -64.61 -44.55 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.809 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.597 ' C ' HG21 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 27' ' ' THR . 2.3 t -63.76 -46.56 94.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.596 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.516 HG11 ' O ' ' A' ' 28' ' ' GLY . 12.4 p -63.58 -45.04 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.597 HG21 ' C ' ' A' ' 30' ' ' DBU . 29.5 m -63.44 -44.87 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.65 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.404 HD23 HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -49.54 -15.85 0.18 Allowed 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.449 179.535 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.529 ' N ' ' C ' ' A' ' 34' ' ' DAL . 68.9 mttm -100.61 -52.7 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.034 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -99.29 -17.25 18.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.538 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.65 ' N ' ' O ' ' A' ' 34' ' ' DAL . 85.7 m . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.59 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.605 ' O ' ' CG2' ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.469 ' H ' ' HB2' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.432 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 52.5 Cg_exo -54.82 -49.09 17.89 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 123.01 2.474 . . . . 0.0 112.637 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.605 ' CG2' ' O ' ' A' ' 1' ' ' ABA . 8.2 m -64.59 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.912 0.387 . . . . 0.0 110.457 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.443 ' N ' HG21 ' A' ' 4' ' ' VAL . 4.7 m -64.46 -41.3 96.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.638 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.19 93.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.91 -45.6 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.527 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.72 90.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.652 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.79 88.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.38 90.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.596 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.29 93.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.653 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.97 89.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.729 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.54 -36.85 85.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.532 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.729 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.561 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -90.92 -54.66 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.781 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.91 -49.43 77.84 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.039 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.617 ' N ' ' O ' ' A' ' 14' ' ' ALA . 91.7 m -61.67 -40.09 93.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.421 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.7 -48.53 76.34 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.561 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 95.0 m95 -66.1 -43.7 86.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.888 0.375 . . . . 0.0 110.803 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.509 ' CG1' ' H ' ' A' ' 25' ' ' ILE . 60.1 t -82.74 130.44 35.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.428 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.52 24.11 1.2 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 21' ' ' VAL . . . 88.27 -3.01 85.54 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.11 -39.62 94.71 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -66.18 -41.81 90.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.554 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.529 ' O ' HG11 ' A' ' 29' ' ' VAL . 81.5 t80 -60.51 -45.8 92.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.522 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.575 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 51.1 p -66.32 -33.15 75.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.461 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.93 -43.41 93.75 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.582 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -64.5 -43.2 96.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.814 0.34 . . . . 0.0 110.69 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.601 ' C ' HG11 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.575 ' CG2' ' O ' ' A' ' 27' ' ' THR . 45.8 t -68.62 -46.25 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.774 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.575 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 54.5 t -64.51 -48.51 84.72 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.899 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.601 HG11 ' C ' ' A' ' 30' ' ' DBU . 1.1 p -49.21 -69.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.017 0.437 . . . . 0.0 110.412 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.585 ' HB1' ' H ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.491 ' N ' HD22 ' A' ' 35' ' ' LEU . 3.4 mm? -60.99 -38.02 84.54 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 67.7 mmtt -61.56 -38.93 89.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.416 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -127.19 -65.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.534 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.649 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.873 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.592 ' HB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.592 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 36.4 Cg_endo -66.16 -33.48 40.06 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.016 2.477 . . . . 0.0 112.418 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.1 -48.95 83.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.963 0.411 . . . . 0.0 110.729 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.608 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 11.6 p -83.78 -43.66 15.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.608 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . -57.15 -47.08 82.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.47 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 66.2 t -65.22 -45.98 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.641 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.03 97.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.651 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.61 88.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.96 95.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.565 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.16 93.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.608 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.91 89.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.725 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.729 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.35 -37.5 87.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.729 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.622 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -91.28 -50.76 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.756 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.534 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -61.4 -50.63 72.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.619 ' N ' ' O ' ' A' ' 14' ' ' ALA . 97.3 m -60.95 -37.6 82.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.427 . . . . 0.0 110.569 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.6 -36.67 76.65 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.644 ' O ' ' C ' ' A' ' 21' ' ' VAL . 16.6 m0 -75.24 -51.55 13.04 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.037 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.644 ' C ' ' O ' ' A' ' 20' ' ' TRP . 2.1 t 2.42 95.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.23 0.072 0 O-C-N 123.545 0.528 . . . . 0.0 110.722 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -89.04 10.41 73.01 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.14 -11.88 51.98 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.17 -38.76 96.39 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.543 ' CD1' ' CG2' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -65.85 -41.81 90.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 0.0 110.603 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.522 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 87.7 t80 -60.61 -44.41 96.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.486 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 94.1 m -57.82 -48.75 78.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.437 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.528 ' O ' HG12 ' A' ' 31' ' ' VAL . . . -66.06 -37.06 92.76 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.543 ' CG2' ' CD1' ' A' ' 25' ' ' ILE . 62.6 t -66.49 -43.12 91.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 110.653 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.585 ' O ' ' CG2' ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.583 ' CG1' ' N ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -61.77 -46.06 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.55 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.587 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -62.19 -46.18 97.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.639 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.587 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 21.0 m -63.42 -42.21 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.289 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.679 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.4 tp -59.79 -40.49 88.46 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.521 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 97.5 mttt -61.98 -37.89 86.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.83 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -120.06 -61.03 1.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.392 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.679 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.4 p . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.119 -0.944 . . . . 0.0 110.974 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.538 ' HG2' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.553 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.571 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 53.0 Cg_exo -57.83 -33.63 97.19 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 123.073 2.515 . . . . 0.0 112.137 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 79.2 t -61.56 -47.38 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.065 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.553 ' SG ' ' N ' ' A' ' 2' ' ' DBU . 0.5 OUTLIER -79.91 -53.46 6.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.316 0.579 . . . . 0.0 110.638 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.43 -46.55 63.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.527 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.571 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 78.3 t -63.82 -45.14 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.469 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.82 92.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.682 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.62 91.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.557 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.42 94.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.609 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.87 89.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.621 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.59 87.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.735 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.35 -36.19 82.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.735 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 20' ' ' TRP . . . -90.28 -49.73 6.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.942 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.83 -50.32 72.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.268 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 88.1 m -63.24 -44.13 96.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.09 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.36 -31.59 74.45 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.492 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -58.49 -51.19 70.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.982 0.42 . . . . 0.0 111.336 -179.484 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.513 ' CG1' ' H ' ' A' ' 25' ' ' ILE . 37.4 t -69.2 -22.35 25.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.383 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.43 17.31 62.54 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.92 -5.77 63.92 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.59 -40.94 96.29 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.519 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -67.78 -42.41 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.002 0.429 . . . . 0.0 110.686 -179.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.507 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 85.2 t80 -60.79 -43.66 97.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.382 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.54 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 19.8 m -58.9 -46.23 88.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.396 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.503 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -65.35 -42.12 96.23 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.564 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 43.7 t -64.89 -45.0 96.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.786 0.327 . . . . 0.0 110.94 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.573 ' O ' HG12 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.54 ' CG2' ' O ' ' A' ' 27' ' ' THR . 56.1 t -68.24 -45.32 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.805 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.564 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 2.3 t -62.79 -49.67 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.046 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.704 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 30' ' ' DBU . 0.8 OUTLIER -50.94 -70.15 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.968 0.413 . . . . 0.0 109.979 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.67 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 tp -59.98 -40.92 90.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.711 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 71.0 mmtt -61.62 -39.04 89.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -117.8 -58.37 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.74 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.67 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.6 p . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.933 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.648 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.648 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 50.4 Cg_exo -55.09 -40.84 83.78 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.067 2.512 . . . . 0.0 112.123 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 1' ' ' ABA . 69.8 t -63.92 -45.98 95.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.512 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.409 ' H ' ' C ' ' A' ' 1' ' ' ABA . 18.8 m -64.91 -38.63 91.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.595 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.44 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 3' ' ' PRO . 55.8 t -63.36 -45.36 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.16 90.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -63.85 -37.61 88.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.533 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.82 87.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.521 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.32 -19.88 55.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -64.78 -38.0 89.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.728 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -62.9 -35.45 80.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.568 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.728 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.63 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -90.51 -50.03 6.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.004 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.44 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -60.74 -49.74 76.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.134 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.608 ' N ' ' O ' ' A' ' 14' ' ' ALA . 96.6 m -62.71 -40.79 98.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.431 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.11 -40.22 92.82 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.63 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 13.4 m0 -62.74 -36.32 82.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.348 . . . . 0.0 111.035 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.592 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 3.9 m -36.78 -24.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.779 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -58.85 -1.14 0.78 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' A' ' 21' ' ' VAL . . . -158.46 -35.72 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.27 -37.27 94.28 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.537 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -65.78 -42.62 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.354 . . . . 0.0 110.645 -179.737 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.526 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 90.3 t80 -61.09 -44.6 97.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.662 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.411 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 95.8 m -60.92 -46.34 91.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.318 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' O ' HG22 ' A' ' 32' ' ' VAL . . . -66.21 -42.5 94.24 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.537 HG22 ' CD1' ' A' ' 25' ' ' ILE . 30.2 t -64.64 -44.67 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.29 . . . . 0.0 110.83 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.579 ' C ' HG21 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 27' ' ' THR . 27.3 t -64.16 -45.04 97.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.773 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.568 ' CG1' ' HE3' ' A' ' 36' ' ' LYS . 23.8 t -63.44 -45.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.579 HG21 ' C ' ' A' ' 30' ' ' DBU . 26.8 m -63.17 -43.01 98.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.092 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.612 ' HB1' ' H ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 48.9 tp -61.16 -42.14 98.03 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.227 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HE3' ' CG1' ' A' ' 32' ' ' VAL . 97.8 mttt -62.02 -39.63 92.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -120.04 -83.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.13 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.631 ' SG ' ' O ' ' A' ' 38' ' ' CYS . 1.5 p . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.748 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.556 ' HG2' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.525 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.524 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 50.2 Cg_exo -57.29 -33.74 96.64 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 123.102 2.535 . . . . 0.0 112.285 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.429 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 65.7 t -61.58 -47.56 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.316 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.556 ' N ' ' HG2' ' A' ' 1' ' ' ABA . 0.5 OUTLIER -79.13 -62.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.105 0.478 . . . . 0.0 110.508 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -39.83 -48.27 2.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.497 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 51.5 t -64.09 -44.96 97.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.58 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.576 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.08 -37.94 89.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.533 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.83 88.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.607 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.42 91.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.508 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -64.4 -37.9 89.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.71 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.58 98.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.607 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.715 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -65.25 -36.36 83.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.468 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.715 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.62 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -90.85 -56.66 3.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.053 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.58 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . -61.82 -47.8 83.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.143 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 14' ' ' ALA . 85.4 m -63.0 -41.08 99.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.63 -40.15 98.32 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 17.9 m0 -71.25 -74.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.716 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.58 ' CG2' ' O ' ' A' ' 17' ' ' ALA . 0.8 OUTLIER 21.06 46.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.869 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.612 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -77.55 0.46 69.88 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.58 -68.55 0.95 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.06 -38.27 95.76 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.574 ' CG2' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -65.78 -41.99 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.956 0.408 . . . . 0.0 110.548 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.53 ' O ' HG12 ' A' ' 29' ' ' VAL . 87.1 t80 -60.5 -46.06 91.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.443 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.58 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 52.6 p -66.79 -33.37 75.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.489 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.588 ' O ' ' CG1' ' A' ' 32' ' ' VAL . . . -65.16 -45.65 90.8 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.568 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -63.73 -43.28 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.798 0.332 . . . . 0.0 110.652 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.62 ' C ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.588 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 24.3 t -66.8 -48.06 80.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.948 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' CG1' ' O ' ' A' ' 28' ' ' GLY . 5.0 m -65.75 -47.83 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.62 HG13 ' C ' ' A' ' 30' ' ' DBU . 1.1 p -48.42 -69.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.669 ' HB1' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.588 ' CD2' ' O ' ' A' ' 31' ' ' VAL . 3.7 mm? -61.78 -42.55 99.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.698 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.655 ' C ' ' CG ' ' A' ' 37' ' ' HIS . 75.7 mmtt -65.18 -44.59 87.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.571 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.655 ' CG ' ' C ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER 165.39 86.07 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.669 ' N ' ' HB1' ' A' ' 34' ' ' DAL . 7.6 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.872 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.534 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.534 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.519 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 28.6 Cg_endo -61.83 -29.5 82.86 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.099 2.533 . . . . 0.0 112.126 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.41 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 70.8 t -63.99 -45.34 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.455 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.2 m -64.38 -42.42 96.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.13 95.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.545 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.14 -45.17 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.575 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -64.28 -37.61 88.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.596 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.74 88.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.534 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -39.52 94.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.53 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -64.75 -37.95 89.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.498 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.76 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.36 -36.85 85.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.73 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.83 -48.9 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.212 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -62.74 -46.13 89.51 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.681 -178.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.598 ' N ' ' O ' ' A' ' 14' ' ' ALA . 38.8 m -60.89 -39.39 89.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.343 . . . . 0.0 110.379 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.97 -61.74 2.21 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.596 ' O ' ' C ' ' A' ' 21' ' ' VAL . 97.1 m95 -61.46 -41.06 96.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.661 0.267 . . . . 0.0 110.659 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.596 ' C ' ' O ' ' A' ' 20' ' ' TRP . 8.9 p 18.39 63.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.226 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.81 6.16 2.98 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 21' ' ' VAL . . . 99.86 -10.05 60.34 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.33 -37.7 94.85 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.54 HD11 ' CG2' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -61.54 -53.64 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.124 0.488 . . . . 0.0 110.806 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' H ' ' CG2' ' A' ' 25' ' ' ILE . 71.7 t80 -61.71 -43.72 98.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.334 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 82.3 m -60.83 -46.1 91.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.396 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.424 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -66.0 -42.4 94.73 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.54 ' CG2' HD11 ' A' ' 25' ' ' ILE . 25.5 t -65.02 -44.71 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.298 . . . . 0.0 110.979 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.581 ' O ' ' CG2' ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 27' ' ' THR . 35.4 t -63.59 -45.46 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.666 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.539 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 2.1 t -63.48 -45.43 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.581 ' CG2' ' O ' ' A' ' 30' ' ' DBU . 29.1 m -61.38 -42.71 94.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.653 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.1 tp -61.55 -42.03 98.24 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.631 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 97.9 mttt -62.81 -37.85 88.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.333 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -118.19 -56.94 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.985 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.653 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.9 p . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.975 -1.012 . . . . 0.0 111.029 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.638 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.638 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.49 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 50.2 Cg_exo -54.98 -40.71 84.48 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.063 2.508 . . . . 0.0 112.11 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 1' ' ' ABA . 56.7 t -63.66 -46.08 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.632 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.406 ' H ' ' C ' ' A' ' 1' ' ' ABA . 14.3 m -63.8 -37.09 86.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.537 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.42 91.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.745 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.08 -44.55 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.639 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.49 -34.79 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.49 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.47 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.467 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.45 87.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.562 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.26 -34.24 23.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.667 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 -27.23 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.716 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.43 -37.87 88.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.593 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.716 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -90.71 -58.21 2.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.918 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.576 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . -61.97 -47.65 83.88 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.146 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 93.4 m -62.08 -39.85 93.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.78 -41.45 99.11 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.566 ' HA ' ' CE3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -65.69 -78.54 0.05 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.063 0.458 . . . . 0.0 110.256 179.677 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.576 ' CG2' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -45.35 96.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.531 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -77.49 23.66 2.34 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.609 ' O ' ' O ' ' A' ' 24' ' ' GLY . . . 157.27 51.36 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.559 -1.017 . . . . 0.0 110.559 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.609 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . 50.66 111.53 0.01 OUTLIER Glycine 0 CA--C 1.522 0.489 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.557 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -34.34 -31.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.371 0.605 . . . . 0.0 110.765 -179.678 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 24' ' ' GLY . 84.7 t80 -55.46 -42.78 74.75 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.431 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.566 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 97.0 m -58.34 -45.2 88.58 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.451 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 32' ' ' VAL . . . -65.96 -43.74 93.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.554 ' CG2' HD12 ' A' ' 25' ' ' ILE . 23.8 t -64.8 -44.26 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.776 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.596 ' O ' ' CG2' ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.566 ' CG2' ' O ' ' A' ' 27' ' ' THR . 39.3 t -66.01 -44.33 92.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.76 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 21.9 t -63.76 -44.25 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.596 ' CG2' ' O ' ' A' ' 30' ' ' DBU . 16.1 m -61.35 -41.0 88.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.135 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.672 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 41.4 tp -60.63 -41.87 95.76 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.571 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 73.4 mmtt -63.74 -39.27 93.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 33' ' ' VAL . 97.2 m-70 -113.54 -60.11 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.672 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.9 p . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.019 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.66 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.66 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 47.9 Cg_exo -55.05 -40.54 85.36 Favored 'Trans proline' 0 C--N 1.302 -1.882 0 C-N-CA 122.774 2.316 . . . . 0.0 111.993 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 1' ' ' ABA . 65.3 t -63.56 -45.99 96.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.661 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.413 ' H ' ' C ' ' A' ' 1' ' ' ABA . 22.0 m -65.83 -39.68 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.552 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.91 97.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.68 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.9 t -62.97 -44.89 99.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.74 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.88 92.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.615 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -64.94 -37.71 88.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.97 -45.05 91.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.586 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.0 85.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.651 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -62.23 -39.6 93.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.692 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.729 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.58 -36.8 85.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.731 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.729 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.536 ' O ' ' HD1' ' A' ' 20' ' ' TRP . . . -91.97 -49.93 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.77 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.517 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -60.37 -50.34 73.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.812 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.617 ' N ' ' O ' ' A' ' 14' ' ' ALA . 92.5 m -63.01 -40.86 99.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.791 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.0 -52.38 33.17 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.596 ' O ' ' C ' ' A' ' 21' ' ' VAL . 89.0 m95 -68.04 -41.49 82.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.65 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.596 ' C ' ' O ' ' A' ' 20' ' ' TRP . 25.3 t 22.33 72.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.56 20.47 14.33 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.69 -18.08 56.59 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.8 -41.93 99.68 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.518 ' O ' HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -65.15 -47.66 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.75 0.31 . . . . 0.0 110.786 179.655 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.419 ' H ' HG21 ' A' ' 25' ' ' ILE . 20.8 t80 -60.03 -33.05 71.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.454 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.498 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 20.6 m -62.45 -46.03 90.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.46 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.539 ' O ' ' CG1' ' A' ' 32' ' ' VAL . . . -65.56 -42.61 95.52 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.527 ' O ' HG12 ' A' ' 32' ' ' VAL . 2.4 t -64.81 -44.04 96.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 110.482 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.597 ' C ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.532 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 42.4 t -67.46 -44.74 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.845 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.539 ' CG1' ' O ' ' A' ' 28' ' ' GLY . 8.4 p -63.21 -46.13 96.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.741 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.597 HG13 ' C ' ' A' ' 30' ' ' DBU . 2.2 p -59.03 -57.75 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.735 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 14.5 tp -60.33 -22.35 63.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.648 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -94.24 -47.67 6.53 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.211 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -103.05 -24.56 13.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.47 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.735 ' N ' ' O ' ' A' ' 34' ' ' DAL . 40.2 m . . . . . 0 C--N 1.32 -0.686 0 CA-C-O 117.861 -1.066 . . . . 0.0 110.638 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.581 ' HB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.581 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 36.6 Cg_endo -66.34 -32.81 40.35 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 123.001 2.467 . . . . 0.0 112.258 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.74 -49.45 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.796 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 11.1 p -83.95 -43.05 15.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.589 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . -57.64 -48.23 80.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.511 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 74.7 t -64.83 -44.99 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.451 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.9 99.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.496 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.22 -44.81 96.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.543 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.36 -39.34 93.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.533 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.36 68.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.703 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -62.12 -37.18 84.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.703 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.609 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -91.56 -55.76 3.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.784 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.94 78.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.008 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.621 ' N ' ' O ' ' A' ' 14' ' ' ALA . 93.1 m -61.61 -40.44 94.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.568 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.14 -42.45 99.73 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 11.2 m95 -62.01 -38.72 89.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.734 0.302 . . . . 0.0 110.849 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.586 ' CG1' ' O ' ' A' ' 21' ' ' VAL . 3.2 p 28.74 48.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.762 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.47 17.29 0.85 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.562 ' H ' ' C ' ' A' ' 21' ' ' VAL . . . 139.35 -7.34 3.12 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.52 ' HA2' ' OG1' ' A' ' 27' ' ' THR . . . -62.45 -35.26 91.46 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.55 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -53.8 -59.75 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.847 0.355 . . . . 0.0 110.875 -179.876 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 30' ' ' DBU . 89.8 t80 -58.75 -44.18 90.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.395 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.641 ' O ' ' N ' ' A' ' 30' ' ' DBU . 82.7 p -60.43 -97.79 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.305 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.29 -55.07 0.01 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' A' ' 25' ' ' ILE . 13.4 t -67.32 -48.53 77.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.889 0.376 . . . . 0.0 111.597 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.641 ' N ' ' O ' ' A' ' 27' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.527 HG12 ' C ' ' A' ' 27' ' ' THR . 2.2 m -63.34 -41.13 91.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.615 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 2.1 t -63.23 -47.44 92.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.606 ' CG2' ' O ' ' A' ' 30' ' ' DBU . 20.5 m -60.69 -42.73 93.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.349 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.685 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.2 -39.17 89.21 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.566 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.615 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 54.4 tptt -64.24 -35.44 80.84 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.759 0.314 . . . . 0.0 110.618 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' VAL . 99.8 m-70 -120.89 -60.09 1.68 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.461 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.685 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.6 p . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.778 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.608 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.608 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 31.1 Cg_endo -65.03 -23.97 60.54 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 C-N-CA 123.08 2.52 . . . . 0.0 112.099 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 45.3 t -64.51 -47.49 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.1 m -69.07 -42.94 75.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.638 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.82 84.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.654 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.22 -45.79 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-O 120.894 0.378 . . . . 0.0 110.732 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -62.57 -38.02 88.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.527 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.98 84.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.81 97.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.539 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 8' ' ' ALA . . . -66.15 -35.71 81.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.558 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.44 -38.75 85.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.517 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.672 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -59.72 -47.63 84.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.672 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.62 ' O ' ' CG ' ' A' ' 20' ' ' TRP . . . -86.79 -46.69 9.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.585 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -82.81 -72.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.878 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.587 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 14.2 p -57.57 -41.95 82.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.231 0.538 . . . . 0.0 110.456 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.575 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -61.65 -41.36 99.57 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.62 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 11.8 m95 -80.48 -73.84 0.34 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.686 0.279 . . . . 0.0 110.817 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.587 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 2.0 t 40.81 18.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.671 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -71.88 4.13 17.43 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.56 -64.27 0.7 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.13 -40.15 98.83 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.525 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -67.12 -42.28 88.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.967 0.413 . . . . 0.0 110.682 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.525 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 87.8 t80 -61.39 -44.92 96.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 19.7 m -59.68 -46.73 88.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.447 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.43 -41.81 96.23 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.523 ' O ' HG21 ' A' ' 33' ' ' VAL . 24.3 t -65.72 -44.64 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-O 120.755 0.312 . . . . 0.0 110.733 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.603 ' O ' ' CG2' ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 27' ' ' THR . 24.5 t -65.52 -45.06 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.783 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.59 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 2.1 t -62.39 -45.86 97.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.603 ' CG2' ' O ' ' A' ' 30' ' ' DBU . 16.7 m -60.71 -42.01 90.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.326 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.709 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.6 tp -61.44 -38.94 89.01 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.151 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.59 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 61.4 tttp -63.19 -33.7 76.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.816 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' VAL . 99.4 m-70 -124.36 -60.83 1.38 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.339 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.709 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.6 p . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.818 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.573 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.573 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 33.3 Cg_endo -64.66 -24.74 62.19 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 123.024 2.483 . . . . 0.0 112.147 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 55.6 t -63.05 -47.28 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.53 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.7 m -68.57 -41.62 79.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.71 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.58 91.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.77 -44.84 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.667 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.7 88.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.26 -39.11 93.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.74 98.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.743 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.48 94.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.58 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.96 -37.32 87.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.55 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.672 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -61.68 -42.78 99.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.696 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.672 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.663 ' O ' ' CG ' ' A' ' 20' ' ' TRP . . . -87.2 -48.59 7.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.473 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -76.54 -72.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.128 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.63 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 15.5 p -60.33 -46.51 89.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.113 0.482 . . . . 0.0 110.472 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.63 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -55.18 -44.2 83.92 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.663 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 9.6 m0 -65.02 -38.53 91.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 110.58 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.3 t -102.75 89.69 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.382 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.06 10.03 70.04 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.498 ' O ' ' HB ' ' A' ' 27' ' ' THR . . . 99.75 -6.46 58.79 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -64.07 -35.88 92.54 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.515 ' CG2' ' H ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -61.37 -67.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.974 -179.794 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.52 ' O ' HG13 ' A' ' 29' ' ' VAL . 87.7 t80 -60.16 -45.73 92.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.52 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' A' ' 23' ' ' GLY . 98.2 m -62.59 -45.61 92.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.522 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -65.28 -46.12 88.23 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -65.4 -40.11 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.508 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.551 ' O ' ' CG2' ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.576 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -64.27 -43.33 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.645 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.565 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 54.3 t -62.95 -46.15 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.715 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 30' ' ' DBU . 29.2 m -61.94 -43.55 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.943 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.594 ' HB1' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.576 ' CD2' ' O ' ' A' ' 31' ' ' VAL . 3.1 mm? -62.3 -42.71 99.59 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.541 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 51.9 mtmt -65.11 -40.2 94.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.703 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.518 ' O ' ' O ' ' A' ' 38' ' ' CYS . 78.2 m-70 -117.58 -88.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.646 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.6 p . . . . . 0 C--O 1.218 -0.574 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.765 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.493 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.493 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.524 ' O ' HG21 ' A' ' 7' ' ' VAL . 31.7 Cg_endo -64.83 -29.34 58.81 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 123.029 2.486 . . . . 0.0 112.25 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 78.6 t -61.87 -47.48 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.595 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 90.9 m -67.02 -40.27 87.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.76 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.6 97.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.654 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.524 HG21 ' O ' ' A' ' 3' ' ' PRO . 51.1 t -65.18 -44.9 95.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.679 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.01 92.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.585 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -63.99 -37.92 89.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.86 -47.61 84.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.563 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.35 -39.04 93.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -64.77 -36.98 86.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.625 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.723 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -62.4 -37.13 84.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.436 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.723 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 20' ' ' TRP . . . -91.62 -52.46 4.75 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.71 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -61.26 -49.97 74.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.622 ' N ' ' O ' ' A' ' 14' ' ' ALA . 82.0 m -60.09 -39.79 87.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.628 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.59 -65.27 1.74 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.579 ' O ' ' C ' ' A' ' 21' ' ' VAL . 40.9 m95 -60.23 -39.2 85.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.667 0.27 . . . . 0.0 110.71 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.593 ' CG1' ' O ' ' A' ' 21' ' ' VAL . 8.8 p 24.27 77.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.895 0.378 . . . . 0.0 110.59 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -76.52 28.67 1.5 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 21' ' ' VAL . . . 98.39 4.7 57.24 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.69 -34.55 90.24 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.554 ' CD1' ' CG2' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -65.64 -41.71 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.599 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.527 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 89.8 t80 -61.12 -44.48 97.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.378 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 77.9 m -59.82 -48.14 82.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.515 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.519 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -65.17 -41.26 97.03 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.554 ' CG2' ' CD1' ' A' ' 25' ' ' ILE . 29.6 t -65.68 -45.13 92.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.73 0.3 . . . . 0.0 110.598 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.577 ' O ' HG12 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 27' ' ' THR . 42.8 t -69.34 -44.12 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.744 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.61 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -61.75 -46.77 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.662 -179.467 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.61 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 1.4 p -62.65 -70.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.734 ' CB ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 35' ' ' LEU . 39.5 tp -61.74 -40.94 96.88 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.625 ' C ' ' CG ' ' A' ' 37' ' ' HIS . 98.7 mttt -80.41 -43.1 21.55 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.021 0.439 . . . . 0.0 110.608 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.663 ' CD2' ' N ' ' A' ' 37' ' ' HIS . 0.0 OUTLIER 161.94 107.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.008 -179.513 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.734 ' N ' ' CB ' ' A' ' 34' ' ' DAL . 48.0 m . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.354 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.772 ' O ' ' HG2' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.583 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.583 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 43.9 Cg_exo -55.87 -46.89 28.14 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.639 2.226 . . . . 0.0 112.284 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.644 ' HB ' ' CG ' ' A' ' 1' ' ' ABA . 76.0 t -64.43 -43.48 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.254 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.681 ' H ' ' HG2' ' A' ' 1' ' ' ABA . 1.5 m -70.06 -41.19 74.48 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.81 -41.02 97.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.609 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.09 -47.38 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.64 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.35 -40.42 89.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -64.31 -36.19 83.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.8 90.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.604 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.71 -17.02 30.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -63.95 -47.49 80.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.615 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -65.04 -37.11 86.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.481 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' DHA . . . . . 0.73 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.616 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -91.4 -44.46 9.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.871 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.6 78.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.02 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.631 ' N ' ' O ' ' A' ' 14' ' ' ALA . 23.2 m -59.15 -48.89 79.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.46 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.12 -40.71 82.64 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.616 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 19.2 m0 -62.62 -37.89 88.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.682 0.277 . . . . 0.0 110.814 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.487 ' C ' ' H ' ' A' ' 23' ' ' GLY . 54.6 t -60.41 122.96 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.934 0.397 . . . . 0.0 110.465 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.21 -13.34 3.55 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 21' ' ' VAL . . . -118.9 -66.16 0.3 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -63.9 -37.16 94.24 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.564 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -65.19 -44.19 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.671 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 86.6 t80 -62.05 -44.94 95.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.521 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.494 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 20.1 m -61.66 -46.54 89.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.31 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -65.42 -37.75 94.15 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.592 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 30.3 t -65.73 -43.83 93.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.623 0.249 . . . . 0.0 110.721 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' DBU . . . . . 0.608 ' C ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 27' ' ' THR . 53.3 t -68.03 -47.3 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.682 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.577 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 49.7 t -64.59 -49.95 78.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.608 HG13 ' C ' ' A' ' 30' ' ' DBU . 1.3 p -46.37 -68.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.405 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' DAL . . . . . 0.619 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.9 mt -59.06 -34.44 71.95 Favored 'General case' 0 CA--C 1.523 -0.091 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.84 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 67.2 mmtt -62.46 -39.13 92.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.955 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -131.06 -54.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.306 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.679 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.222 -0.381 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.966 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.597 ' O ' HG23 ' A' ' 7' ' ' VAL . 50.3 Cg_exo . . . . . 0 N--CA 1.49 1.282 0 CA-C-O 120.809 0.254 . . . . 0.0 112.491 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.523 HG12 ' N ' ' A' ' 5' ' ' CYS . 11.6 t -61.31 -72.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.995 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 16.0 p -65.36 -44.42 87.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.574 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . -54.55 -45.82 73.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.529 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 3' ' ' PRO . 39.6 t -63.85 -44.35 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.589 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.8 88.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.531 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.834 0.35 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.57 91.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.24 -47.1 87.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.635 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.609 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.566 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 120.722 0.296 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -50.63 72.79 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.127 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' ALA . 91.1 m . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.296 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.877 0.37 . . . . 0.0 110.68 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.527 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 80.0 t80 -61.18 -46.24 91.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.646 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.5 t -62.59 -45.4 93.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.434 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.474 ' N ' HG23 ' A' ' 27' ' ' THR . . . -65.08 -43.2 96.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.947 ' O ' HG13 ' A' ' 33' ' ' VAL . 2.3 t . . . . . 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.553 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 27' ' ' THR . 41.9 t . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.32 -46.27 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.029 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.947 HG13 ' O ' ' A' ' 29' ' ' VAL . 21.6 m . . . . . 0 C--N 1.328 -0.359 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 35' ' ' LEU . 42.4 tp . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 120.553 0.216 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -66.12 -47.22 74.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.622 0.249 . . . . 0.0 111.299 179.573 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -117.74 -30.31 5.48 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 111.529 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.634 -179.531 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.577 ' O ' HG23 ' A' ' 7' ' ' VAL . 48.4 Cg_exo . . . . . 0 N--CA 1.485 0.994 0 CA-C-O 120.721 0.217 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.52 -47.58 90.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.557 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 83.8 m -69.35 -42.15 75.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.715 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.09 97.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.646 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 3' ' ' PRO . 51.3 t -66.2 -44.31 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.765 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.66 -39.01 93.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.651 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.741 0.305 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -65.85 -38.19 88.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -63.12 -40.31 97.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.674 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.61 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.7 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.04 0 CA-C-O 120.93 0.395 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.07 78.97 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.61 ' N ' ' O ' ' A' ' 14' ' ' ALA . 66.1 m . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.569 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 110.766 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -64.92 -31.77 73.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.41 -179.637 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.633 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.4 m -63.26 -49.86 72.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.596 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.01 -45.57 62.3 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.554 ' O ' HG13 ' A' ' 33' ' ' VAL . 55.5 t . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.784 0.326 . . . . 0.0 110.433 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 27' ' ' THR . 25.0 t . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.688 0.28 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.561 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -62.27 -44.28 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 -179.75 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.561 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 27.8 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 35' ' ' LEU . 34.5 tp . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 75.3 mmtt -101.72 -53.53 2.95 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.152 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -101.54 -14.57 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.465 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.3 m . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.448 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.52 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 50.2 Cg_exo . . . . . 0 N--CA 1.489 1.225 0 CA-C-O 120.788 0.245 . . . . 0.0 112.222 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 7' ' ' VAL . 75.9 t -63.32 -46.97 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.479 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.7 m -69.73 -43.15 72.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.637 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.84 92.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.003 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 4' ' ' VAL . 0.7 OUTLIER -65.28 -42.91 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.489 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.524 ' N ' ' CG1' ' A' ' 7' ' ' VAL . . . -64.1 -37.85 88.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.65 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.848 0.356 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.05 89.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.64 84.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.759 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.86 0.362 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -77.1 -73.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.146 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.483 ' H ' ' HA ' ' A' ' 14' ' ' ALA . 13.2 p . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 121.145 0.497 . . . . 0.0 110.504 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.701 HG23 ' H ' ' A' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.991 0.425 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.701 ' H ' HG23 ' A' ' 25' ' ' ILE . 88.6 t80 -61.68 -44.86 96.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.507 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.445 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 20.8 m -60.65 -47.54 85.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.412 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -64.36 -40.11 97.54 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.94 ' O ' HG12 ' A' ' 33' ' ' VAL . 41.2 t . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.749 0.309 . . . . 0.0 110.62 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.3 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.701 0.286 . . . . 0.0 110.52 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 55.9 t -63.01 -47.78 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.106 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.94 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.3 p . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 120.976 0.417 . . . . 0.0 110.458 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 35.4 tp . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 75.7 mmtt -102.1 -51.74 3.32 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.802 0.334 . . . . 0.0 111.661 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -99.53 -16.47 18.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 111.493 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 75.9 m . . . . . 0 C--N 1.324 -0.539 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.639 -179.585 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.459 ' O ' HG23 ' A' ' 7' ' ' VAL . 50.3 Cg_exo . . . . . 0 N--CA 1.486 1.06 0 CA-C-O 120.688 0.203 . . . . 0.0 112.115 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.11 -47.66 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 97.7 m -69.49 -42.25 75.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.765 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.38 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.614 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 3' ' ' PRO . 55.4 t -65.36 -44.15 94.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.675 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.21 -37.02 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.593 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.76 0.314 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -62.13 -41.03 97.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.558 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.8 80.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.654 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.568 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.834 0.349 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.1 81.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 81.2 m . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.701 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.821 0.343 . . . . 0.0 110.589 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.521 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -65.44 -28.96 69.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.623 179.788 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.483 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 19.8 m -63.26 -48.74 76.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.565 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.87 -45.52 73.56 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 33' ' ' VAL . 30.4 t . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.806 0.336 . . . . 0.0 110.666 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.483 ' HB ' ' O ' ' A' ' 27' ' ' THR . 2.3 t . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.783 0.325 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.8 t -64.0 -44.86 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 29' ' ' VAL . 21.7 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.649 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.458 0 CA-C-O 120.876 0.37 . . . . 0.0 110.488 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 73.5 mmtt -63.79 -37.63 88.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.979 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' VAL . 95.8 m-70 -114.61 -63.2 1.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.321 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.637 ' SG ' ' O ' ' A' ' 38' ' ' CYS . 1.8 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.956 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.485 ' O ' HG23 ' A' ' 7' ' ' VAL . 41.9 Cg_exo . . . . . 0 N--CA 1.491 1.379 0 CA-C-O 120.824 0.26 . . . . 0.0 112.121 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.4 -47.57 92.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.621 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 68.4 m -68.39 -39.08 81.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.17 91.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 3' ' ' PRO . 53.2 t -63.76 -45.19 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.626 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.07 97.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.746 0.308 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.91 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.29 -36.05 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.631 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.626 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.302 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.866 0.365 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.1 -50.6 72.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.643 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.626 ' N ' ' O ' ' A' ' 14' ' ' ALA . 98.9 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.765 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.818 0.342 . . . . 0.0 110.764 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.507 ' N ' HG23 ' A' ' 25' ' ' ILE . 65.5 t80 -59.95 -46.12 90.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.567 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.485 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 74.2 p -58.81 -46.48 87.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.41 92.99 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.0 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.4 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.57 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.557 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.2 t . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.882 0.372 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.513 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 45.4 t -64.32 -47.93 87.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.672 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.0 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.2 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 13.2 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.853 0.358 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.89 -46.46 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -103.4 -24.13 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.748 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 C--O 1.218 -0.569 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.763 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo . . . . . 0 N--CA 1.488 1.147 0 CA-C-O 120.784 0.243 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.542 ' O ' HG12 ' A' ' 7' ' ' VAL . 15.6 m -64.28 -38.92 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.6 m -67.06 -41.57 86.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.591 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.14 -46.91 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -64.52 -41.78 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.517 ' N ' ' CG1' ' A' ' 7' ' ' VAL . . . -63.83 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.552 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.775 0.321 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.55 87.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.91 -66.25 0.58 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HA ' ' H ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.884 0.373 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -74.58 -73.34 0.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.568 ' H ' ' HA ' ' A' ' 14' ' ' ALA . 16.3 p . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.733 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.864 HG23 ' H ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.907 0.384 . . . . 0.0 110.793 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.864 ' H ' HG23 ' A' ' 25' ' ' ILE . 84.0 t80 -60.07 -45.55 92.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.441 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.534 ' O ' HG23 ' A' ' 31' ' ' VAL . 97.0 m -61.26 -48.13 82.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.553 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -66.66 -41.94 93.6 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.761 ' O ' HG13 ' A' ' 33' ' ' VAL . 30.5 t . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.773 0.32 . . . . 0.0 110.74 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 27' ' ' THR . 40.8 t . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.703 0.287 . . . . 0.0 110.613 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 28' ' ' GLY . 41.6 t -62.55 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.725 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 29' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.469 ' HA ' HD12 ' A' ' 35' ' ' LEU . 14.1 tp . . . . . 0 C--O 1.233 0.19 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 75.8 mmtt -102.15 -51.84 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.116 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -98.63 -19.33 17.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.9 m . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.609 -179.813 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.455 ' O ' HG23 ' A' ' 7' ' ' VAL . 50.0 Cg_exo . . . . . 0 N--CA 1.489 1.264 0 CA-C-O 120.863 0.276 . . . . 0.0 112.185 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.12 -45.71 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.642 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.5 m -65.54 -39.27 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.43 94.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.704 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 3' ' ' PRO . 55.7 t -63.71 -44.75 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.567 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.79 92.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.531 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.519 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.783 0.325 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.44 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.94 -37.91 89.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.449 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.615 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 120.621 0.248 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.33 -48.85 80.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.107 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 14' ' ' ALA . 66.7 m . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.33 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.81 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.025 0.44 . . . . 0.0 110.097 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -58.76 -44.36 90.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.617 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.452 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 96.5 m -59.98 -45.61 92.16 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.237 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.552 ' O ' HG12 ' A' ' 32' ' ' VAL . . . -64.86 -39.02 96.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.79 HG23 ' CD1' ' A' ' 25' ' ' ILE . 38.5 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.809 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 27' ' ' THR . 2.3 t . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.725 0.298 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 33' ' ' VAL . 12.4 p -63.58 -45.04 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.571 HG13 ' O ' ' A' ' 29' ' ' VAL . 29.5 m . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.537 ' HA ' HD13 ' A' ' 35' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.446 -0.667 0 CA-C-O 120.889 0.376 . . . . 0.0 110.449 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -100.61 -52.7 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.034 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -99.29 -17.25 18.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.538 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.7 m . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.59 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 7' ' ' VAL . 52.5 Cg_exo . . . . . 0 N--CA 1.493 1.491 0 CA-C-O 120.779 0.241 . . . . 0.0 112.637 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.2 m -64.59 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.912 0.387 . . . . 0.0 110.457 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.7 m -64.46 -41.3 96.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.638 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.19 93.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 3' ' ' PRO . 58.0 t -62.91 -45.6 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.72 90.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.652 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.844 0.355 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.29 93.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.653 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.97 89.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.617 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.532 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.781 0.324 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.91 -49.43 77.84 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.039 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.617 ' N ' ' O ' ' A' ' 14' ' ' ALA . 91.7 m . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.421 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.708 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.856 0.36 . . . . 0.0 110.554 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' O ' HG12 ' A' ' 29' ' ' VAL . 81.5 t80 -60.51 -45.8 92.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.522 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.692 ' O ' HG23 ' A' ' 31' ' ' VAL . 51.1 p -66.32 -33.15 75.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.461 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -65.93 -43.41 93.75 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.944 ' O ' HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.814 0.34 . . . . 0.0 110.69 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.728 ' O ' HD23 ' A' ' 35' ' ' LEU . 45.8 t . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.772 0.32 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 54.5 t -64.51 -48.51 84.72 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.899 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.944 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.1 p . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.017 0.437 . . . . 0.0 110.412 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 31' ' ' VAL . 3.4 mm? . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.967 0.413 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 67.7 mmtt -61.56 -38.93 89.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.416 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -127.19 -65.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.534 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.649 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.873 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.536 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 36.4 Cg_endo . . . . . 0 N--CA 1.479 0.666 0 CA-C-O 120.732 0.222 . . . . 0.0 112.418 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.1 -48.95 83.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.963 0.411 . . . . 0.0 110.729 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.608 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 11.6 p -83.78 -43.66 15.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.608 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . -57.15 -47.08 82.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.47 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.536 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 66.2 t -65.22 -45.98 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.641 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.03 97.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.651 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.81 0.338 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.16 93.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.608 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.91 89.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.725 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.619 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.774 0.321 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.63 72.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.619 ' N ' ' O ' ' A' ' 14' ' ' ALA . 97.3 m . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.427 . . . . 0.0 110.569 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.831 HD13 HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.947 0.403 . . . . 0.0 110.603 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.522 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 87.7 t80 -60.61 -44.41 96.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.496 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 94.1 m -57.82 -48.75 78.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.437 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.559 ' O ' HG12 ' A' ' 31' ' ' VAL . . . -66.06 -37.06 92.76 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.831 HG23 HD13 ' A' ' 25' ' ' ILE . 62.6 t . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 110.653 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.583 ' CG1' ' N ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.82 0.343 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.954 HG22 ' HE3' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -62.19 -46.18 97.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.639 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.587 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 21.0 m . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.289 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' A' ' 35' ' ' LEU . 37.4 tp . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.582 0.23 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.954 ' HE3' HG22 ' A' ' 32' ' ' VAL . 97.5 mttt -61.98 -37.89 86.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.83 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -120.06 -61.03 1.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.392 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 38' ' ' CYS . 1.4 p . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.119 -0.944 . . . . 0.0 110.974 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 7' ' ' VAL . 53.0 Cg_exo . . . . . 0 N--CA 1.489 1.238 0 CA-C-O 120.781 0.242 . . . . 0.0 112.137 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 79.2 t -61.56 -47.38 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.065 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.91 -53.46 6.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.316 0.579 . . . . 0.0 110.638 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.43 -46.55 63.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.527 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 3' ' ' PRO . 78.3 t -63.82 -45.14 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.469 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.82 92.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.682 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.557 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.846 0.355 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.87 89.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.621 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.59 87.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.661 0.267 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.83 -50.32 72.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.268 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 88.1 m . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.09 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.674 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.002 0.429 . . . . 0.0 110.686 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.507 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 85.2 t80 -60.79 -43.66 97.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.382 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.662 ' O ' HG23 ' A' ' 31' ' ' VAL . 19.8 m -58.9 -46.23 88.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.396 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.505 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -65.35 -42.12 96.23 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.966 ' O ' HG12 ' A' ' 33' ' ' VAL . 43.7 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.786 0.327 . . . . 0.0 110.94 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 27' ' ' THR . 56.1 t . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 120.811 0.338 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.577 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 2.3 t -62.79 -49.67 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.046 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.704 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.966 HG12 ' O ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 120.968 0.413 . . . . 0.0 109.979 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 35' ' ' LEU . 44.5 tp . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.821 0.344 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 71.0 mmtt -61.62 -39.04 89.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -117.8 -58.37 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.74 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.622 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.6 p . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.933 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 N--CA 1.49 1.302 0 CA-C-O 120.868 0.278 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.92 -45.98 95.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.512 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.8 m -64.91 -38.63 91.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.595 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.44 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.36 -45.36 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.16 90.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.565 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.533 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.773 0.321 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.32 -19.88 55.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -64.78 -38.0 89.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.608 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.698 0.285 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.74 -49.74 76.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.134 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.608 ' N ' ' O ' ' A' ' 14' ' ' ALA . 96.6 m . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.431 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.754 HD13 HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.842 0.354 . . . . 0.0 110.645 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.526 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 90.3 t80 -61.09 -44.6 97.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.662 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 31' ' ' VAL . 95.8 m -60.92 -46.34 91.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.318 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.21 -42.5 94.24 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.754 HG23 HD13 ' A' ' 25' ' ' ILE . 30.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.29 . . . . 0.0 110.83 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 27' ' ' THR . 27.3 t . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.797 0.332 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.653 HG13 ' HE3' ' A' ' 36' ' ' LYS . 23.8 t -63.44 -45.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 29' ' ' VAL . 26.8 m . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.092 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 35' ' ' LEU . 48.9 tp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.653 ' HE3' HG13 ' A' ' 32' ' ' VAL . 97.8 mttt -62.02 -39.63 92.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -120.04 -83.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.13 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.631 ' SG ' ' O ' ' A' ' 38' ' ' CYS . 1.5 p . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.748 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.534 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 50.2 Cg_exo . . . . . 0 N--CA 1.49 1.298 0 CA-C-O 120.872 0.28 . . . . 0.0 112.285 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.7 t -61.58 -47.56 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.316 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -62.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.105 0.478 . . . . 0.0 110.508 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -39.83 -48.27 2.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.497 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.534 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 51.5 t -64.09 -44.96 97.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.58 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.576 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.08 -37.94 89.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.533 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.607 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.805 0.336 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -64.4 -37.9 89.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.71 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.58 98.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.607 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.609 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.468 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.637 0.256 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.8 83.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.143 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' ALA . 85.4 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.723 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.956 0.408 . . . . 0.0 110.548 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' O ' HG12 ' A' ' 29' ' ' VAL . 87.1 t80 -60.5 -46.06 91.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.443 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.693 ' O ' HG23 ' A' ' 31' ' ' VAL . 52.6 p -66.79 -33.37 75.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.489 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 1.025 ' O ' HG13 ' A' ' 32' ' ' VAL . . . -65.16 -45.65 90.8 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.945 ' O ' HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.798 0.332 . . . . 0.0 110.652 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.088 ' O ' HD23 ' A' ' 35' ' ' LEU . 24.3 t . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.665 0.269 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.025 HG13 ' O ' ' A' ' 28' ' ' GLY . 5.0 m -65.75 -47.83 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.945 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.1 p . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.088 HD23 ' O ' ' A' ' 31' ' ' VAL . 3.7 mm? . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.706 ' HB3' ' CE1' ' A' ' 37' ' ' HIS . 75.7 mmtt -65.18 -44.59 87.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.571 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.706 ' CE1' ' HB3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER 165.39 86.07 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.872 179.028 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.592 ' O ' HG23 ' A' ' 7' ' ' VAL . 28.6 Cg_endo . . . . . 0 N--CA 1.485 1.002 0 CA-C-O 120.805 0.252 . . . . 0.0 112.126 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.99 -45.34 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.2 m -64.38 -42.42 96.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.13 95.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.545 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 3' ' ' PRO . 54.6 t -64.14 -45.17 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.575 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -64.28 -37.61 88.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.596 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.534 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.813 0.339 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -64.75 -37.95 89.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.498 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.76 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.598 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.22 0 CA-C-O 120.715 0.293 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.13 89.51 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.681 -178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.598 ' N ' ' O ' ' A' ' 14' ' ' ALA . 38.8 m . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.343 . . . . 0.0 110.379 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.677 HG23 ' H ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 CA--C 1.52 -0.208 0 CA-C-O 121.124 0.488 . . . . 0.0 110.806 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.677 ' H ' HG23 ' A' ' 25' ' ' ILE . 71.7 t80 -61.71 -43.72 98.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.334 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 31' ' ' VAL . 82.3 m -60.83 -46.1 91.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.396 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.423 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -66.0 -42.4 94.73 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 33' ' ' VAL . 25.5 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.298 . . . . 0.0 110.979 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 27' ' ' THR . 35.4 t . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.865 0.365 . . . . 0.0 110.666 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.889 HG13 ' HE3' ' A' ' 36' ' ' LYS . 2.1 t -63.48 -45.43 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 29' ' ' VAL . 29.1 m . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.1 tp . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.807 0.337 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.889 ' HE3' HG13 ' A' ' 32' ' ' VAL . 97.9 mttt -62.81 -37.85 88.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.333 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -118.19 -56.94 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.985 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.551 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.9 p . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.975 -1.012 . . . . 0.0 111.029 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 N--CA 1.489 1.245 0 CA-C-O 120.805 0.252 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.7 t -63.66 -46.08 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.632 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.3 m -63.8 -37.09 86.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.537 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.42 91.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.745 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.08 -44.55 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.639 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.49 -34.79 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.49 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.467 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.85 0.357 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.26 -34.24 23.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.667 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 -27.23 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.593 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.749 0.309 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.97 -47.65 83.88 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.146 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 93.4 m . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.975 HD12 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 121.371 0.605 . . . . 0.0 110.765 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -55.46 -42.78 74.75 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.431 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.703 ' O ' HG23 ' A' ' 31' ' ' VAL . 97.0 m -58.34 -45.2 88.58 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.451 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.96 -43.74 93.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.774 HG23 HD11 ' A' ' 25' ' ' ILE . 23.8 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.776 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 27' ' ' THR . 39.3 t . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.809 0.338 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.57 ' CG1' ' HG3' ' A' ' 36' ' ' LYS . 21.9 t -63.76 -44.25 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 29' ' ' VAL . 16.1 m . . . . . 0 C--N 1.323 -0.582 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.135 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' A' ' 35' ' ' LEU . 41.4 tp . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.697 0.284 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.57 ' HG3' ' CG1' ' A' ' 32' ' ' VAL . 73.4 mmtt -63.74 -39.27 93.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -113.54 -60.11 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.592 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.9 p . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.019 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.405 ' O ' HG23 ' A' ' 7' ' ' VAL . 47.9 Cg_exo . . . . . 0 N--CA 1.496 1.63 0 CA-C-O 120.814 0.256 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.3 t -63.56 -45.99 96.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.661 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.0 m -65.83 -39.68 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.552 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.91 97.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.68 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 3' ' ' PRO . 64.9 t -62.97 -44.89 99.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.74 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.88 92.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.615 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.784 0.326 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.0 85.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.651 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.6 93.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.692 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.617 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.731 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 121.107 0.48 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.34 73.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.812 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.617 ' N ' ' O ' ' A' ' 14' ' ' ALA . 92.5 m . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.791 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.46 0.029 0 CA-C-O 120.75 0.31 . . . . 0.0 110.786 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.427 ' N ' HG23 ' A' ' 25' ' ' ILE . 20.8 t80 -60.03 -33.05 71.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.454 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.6 m -62.45 -46.03 90.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.46 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.823 ' O ' HG12 ' A' ' 32' ' ' VAL . . . -65.56 -42.61 95.52 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.795 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.4 t . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 110.482 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 27' ' ' THR . 42.4 t . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.812 0.339 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.823 HG12 ' O ' ' A' ' 28' ' ' GLY . 8.4 p -63.21 -46.13 96.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.741 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.795 HG12 ' O ' ' A' ' 29' ' ' VAL . 2.2 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 14.5 tp . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.994 0.426 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -94.24 -47.67 6.53 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.211 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -103.05 -24.56 13.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.47 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.2 m . . . . . 0 C--N 1.32 -0.686 0 CA-C-O 117.861 -1.066 . . . . 0.0 110.638 179.819 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.546 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 36.6 Cg_endo . . . . . 0 N--CA 1.479 0.626 0 CA-C-O 120.651 0.188 . . . . 0.0 112.258 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.74 -49.45 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.796 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 11.1 p -83.95 -43.05 15.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.589 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . -57.64 -48.23 80.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.511 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.546 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 74.7 t -64.83 -44.99 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.451 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.9 99.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.496 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.758 0.313 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.36 -39.34 93.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.533 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.36 68.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.771 0.32 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.94 78.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.008 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.621 ' N ' ' O ' ' A' ' 14' ' ' ALA . 93.1 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.568 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.77 HG23 ' H ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.847 0.355 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.77 ' H ' HG23 ' A' ' 25' ' ' ILE . 89.8 t80 -58.75 -44.18 90.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.395 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.815 ' C ' HG13 ' A' ' 31' ' ' VAL . 82.7 p -60.43 -97.79 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.305 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.29 -55.07 0.01 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.562 ' HB ' ' O ' ' A' ' 25' ' ' ILE . 13.4 t . . . . . 0 C--N 1.333 -0.151 0 CA-C-O 120.889 0.376 . . . . 0.0 111.597 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.815 HG13 ' C ' ' A' ' 27' ' ' THR . 2.2 m . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.646 0.26 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.615 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 2.1 t -63.23 -47.44 92.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 29' ' ' VAL . 20.5 m . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.349 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.2 tp . . . . . 0 N--CA 1.451 -0.416 0 CA-C-O 120.546 0.212 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.615 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 54.4 tptt -64.24 -35.44 80.84 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.759 0.314 . . . . 0.0 110.618 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' VAL . 99.8 m-70 -120.89 -60.09 1.68 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.461 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.637 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.6 p . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.778 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo . . . . . 0 N--CA 1.482 0.822 0 CA-C-O 120.739 0.225 . . . . 0.0 112.099 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.3 t -64.51 -47.49 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.1 m -69.07 -42.94 75.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.638 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.82 84.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.654 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.22 -45.79 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-O 120.894 0.378 . . . . 0.0 110.732 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.02 88.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.527 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 179.902 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.814 0.34 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.15 -35.71 81.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.558 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.44 -38.75 85.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.517 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.571 ' O ' ' N ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.796 0.331 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -82.81 -72.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.878 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' H ' ' HA ' ' A' ' 14' ' ' ALA . 14.2 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.231 0.538 . . . . 0.0 110.456 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.713 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.967 0.413 . . . . 0.0 110.682 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.525 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 87.8 t80 -61.39 -44.92 96.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 31' ' ' VAL . 19.7 m -59.68 -46.73 88.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.447 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.43 -41.81 96.23 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.666 HG23 HD13 ' A' ' 25' ' ' ILE . 24.3 t . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.755 0.312 . . . . 0.0 110.733 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 27' ' ' THR . 24.5 t . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.778 0.323 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.59 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 2.1 t -62.39 -45.86 97.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 29' ' ' VAL . 16.7 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.326 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 35' ' ' LEU . 37.6 tp . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.59 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 61.4 tttp -63.19 -33.7 76.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.816 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' VAL . 99.4 m-70 -124.36 -60.83 1.38 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.339 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.638 ' SG ' ' O ' ' A' ' 38' ' ' CYS . 1.6 p . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.818 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.733 ' O ' HG23 ' A' ' 7' ' ' VAL . 33.3 Cg_endo . . . . . 0 N--CA 1.483 0.891 0 CA-C-O 120.768 0.237 . . . . 0.0 112.147 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.05 -47.28 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.53 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.7 m -68.57 -41.62 79.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.71 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.58 91.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 3' ' ' PRO . 54.3 t -63.77 -44.84 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.667 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.7 88.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.766 0.317 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.48 94.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.58 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.96 -37.32 87.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.55 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.696 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.79 0.329 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -76.54 -72.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.128 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.484 ' H ' ' HA ' ' A' ' 14' ' ' ALA . 15.5 p . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 121.113 0.482 . . . . 0.0 110.472 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.877 HG23 ' H ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.845 0.355 . . . . 0.0 110.974 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.877 ' H ' HG23 ' A' ' 25' ' ' ILE . 87.7 t80 -60.16 -45.73 92.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.52 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.428 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 98.2 m -62.59 -45.61 92.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.574 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -65.28 -46.12 88.23 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.73 ' O ' HG13 ' A' ' 33' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.508 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.862 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.894 0.378 . . . . 0.0 110.645 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.03 HG12 ' HE2' ' A' ' 36' ' ' LYS . 54.3 t -62.95 -46.15 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.715 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 29' ' ' VAL . 29.2 m . . . . . 0 C--N 1.325 -0.461 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.943 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.862 HD23 ' O ' ' A' ' 31' ' ' VAL . 3.1 mm? . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.743 0.306 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 1.03 ' HE2' HG12 ' A' ' 32' ' ' VAL . 51.9 mtmt -65.11 -40.2 94.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.703 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.518 ' O ' ' O ' ' A' ' 38' ' ' CYS . 78.2 m-70 -117.58 -88.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.646 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.6 p . . . . . 0 C--O 1.218 -0.574 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.765 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.457 ' O ' HG23 ' A' ' 7' ' ' VAL . 31.7 Cg_endo . . . . . 0 N--CA 1.484 0.912 0 CA-C-O 120.77 0.238 . . . . 0.0 112.25 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.87 -47.48 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.595 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 90.9 m -67.02 -40.27 87.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.76 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.6 97.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.654 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 3' ' ' PRO . 51.1 t -65.18 -44.9 95.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.679 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.01 92.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.585 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.728 0.299 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.35 -39.04 93.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.98 86.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.625 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.622 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.436 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.893 0.378 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -49.97 74.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.622 ' N ' ' O ' ' A' ' 14' ' ' ALA . 82.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.628 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.894 0.378 . . . . 0.0 110.599 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.527 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 89.8 t80 -61.12 -44.48 97.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.378 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.656 ' O ' HG23 ' A' ' 31' ' ' VAL . 77.9 m -59.82 -48.14 82.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.515 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.526 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -65.17 -41.26 97.03 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.95 ' O ' HG12 ' A' ' 33' ' ' VAL . 29.6 t . . . . . 0 C--N 1.332 -0.183 0 CA-C-O 120.73 0.3 . . . . 0.0 110.598 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 27' ' ' THR . 42.8 t . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 110.744 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.61 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -61.75 -46.77 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.662 -179.467 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.95 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.4 p . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.426 ' HA ' HD12 ' A' ' 35' ' ' LEU . 39.5 tp . . . . . 0 N--CA 1.457 -0.079 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.625 ' C ' ' CG ' ' A' ' 37' ' ' HIS . 98.7 mttt -80.41 -43.1 21.55 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.021 0.439 . . . . 0.0 110.608 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.625 ' CG ' ' C ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER 161.94 107.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.008 -179.513 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.0 m . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.354 -179.393 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.58 ' O ' HG23 ' A' ' 7' ' ' VAL . 43.9 Cg_exo . . . . . 0 N--CA 1.485 0.994 0 CA-C-O 120.858 0.274 . . . . 0.0 112.284 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.43 -43.48 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.254 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 m -70.06 -41.19 74.48 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.81 -41.02 97.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.609 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 3' ' ' PRO . 52.4 t -63.09 -47.38 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.64 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.35 -40.42 89.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.656 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.527 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.785 0.326 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.71 -17.02 30.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -63.95 -47.49 80.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.615 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.631 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.481 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.738 0.304 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.6 78.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.02 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.631 ' N ' ' O ' ' A' ' 14' ' ' ALA . 23.2 m . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.46 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.773 HD13 HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.844 0.354 . . . . 0.0 110.671 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 86.6 t80 -62.05 -44.94 95.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.521 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.1 m -61.66 -46.54 89.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.31 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.42 -37.75 94.15 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.901 ' O ' HG12 ' A' ' 33' ' ' VAL . 30.3 t . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.623 0.249 . . . . 0.0 110.721 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 27' ' ' THR . 53.3 t . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.69 0.281 . . . . 0.0 110.682 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.587 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 49.7 t -64.59 -49.95 78.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.901 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.3 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.405 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 CA--C 1.523 -0.091 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 67.2 mmtt -62.46 -39.13 92.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.955 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -131.06 -54.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.306 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.679 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.222 -0.381 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.966 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.651 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.651 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.597 ' O ' HG23 ' A' ' 7' ' ' VAL . 50.3 Cg_exo -54.17 -37.33 87.47 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.846 2.364 . . . . 0.0 112.491 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.523 HG12 ' N ' ' A' ' 5' ' ' CYS . 11.6 t -61.31 -72.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.995 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 16.0 p -65.36 -44.42 87.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.606 ' CB ' ' O ' ' A' ' 2' ' ' DBU . . . -54.55 -45.82 73.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.529 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 3' ' ' PRO . 39.6 t -63.85 -44.35 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.589 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.8 88.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.88 89.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.531 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.44 91.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.592 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.57 91.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.24 -47.1 87.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.635 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.74 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.68 -35.17 79.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.566 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.74 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 20' ' ' TRP . . . -90.48 -48.64 6.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.925 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -60.46 -50.63 72.79 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.127 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' ALA . 91.1 m -62.96 -42.22 99.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.296 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.32 -24.89 67.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.539 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.0 t90 -61.26 -50.62 72.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.997 0.427 . . . . 0.0 110.744 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.683 HG12 ' H ' ' A' ' 25' ' ' ILE . 1.3 t -72.83 76.22 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.334 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.01 7.19 64.54 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' O ' HG22 ' A' ' 27' ' ' THR . . . -143.9 -40.19 0.06 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.582 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . -64.28 -39.6 97.17 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -66.91 -42.36 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.68 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.527 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 80.0 t80 -61.18 -46.24 91.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.646 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.582 ' CG2' ' O ' ' A' ' 24' ' ' GLY . 2.5 t -62.59 -45.4 93.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.434 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' N ' HG23 ' A' ' 27' ' ' THR . . . -65.08 -43.2 96.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.947 ' O ' HG13 ' A' ' 33' ' ' VAL . 2.3 t -63.8 -46.24 94.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.553 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.549 ' C ' HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 27' ' ' THR . 41.9 t -64.72 -45.75 94.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.702 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.32 -46.27 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.029 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.947 HG13 ' O ' ' A' ' 29' ' ' VAL . 21.6 m -63.88 -45.01 98.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.692 ' C ' ' HB2' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 34' ' ' DAL . 42.4 tp -29.26 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.751 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.604 ' N ' ' O ' ' A' ' 34' ' ' DAL . 0.9 OUTLIER -66.12 -47.22 74.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.622 0.249 . . . . 0.0 111.299 179.573 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.603 ' N ' ' O ' ' A' ' 34' ' ' DAL . 89.4 m-70 -117.74 -30.31 5.48 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 111.529 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.692 ' HB2' ' C ' ' A' ' 34' ' ' DAL . 53.2 m . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.634 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.62 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.62 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.577 ' O ' HG23 ' A' ' 7' ' ' VAL . 48.4 Cg_exo -55.14 -38.64 93.43 Favored 'Trans proline' 0 C--N 1.303 -1.837 0 C-N-CA 123.068 2.512 . . . . 0.0 112.058 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 1' ' ' ABA . 53.3 t -63.52 -47.58 90.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.557 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 83.8 m -69.35 -42.15 75.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.715 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.09 97.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.646 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 3' ' ' PRO . 51.3 t -66.2 -44.31 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.765 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.66 -39.01 93.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.651 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -64.18 -37.25 86.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.05 97.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.575 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -65.85 -38.19 88.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -63.12 -40.31 97.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.674 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.718 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -64.49 -36.24 83.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.7 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.718 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 20' ' ' TRP . . . -91.88 -50.14 5.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.932 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -60.84 -49.07 78.97 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.61 ' N ' ' O ' ' A' ' 14' ' ' ALA . 66.1 m -61.14 -38.34 86.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.91 -65.9 1.57 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.528 ' N ' ' O ' ' A' ' 16' ' ' ALA . 12.8 m95 -58.77 -39.06 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.574 0.226 . . . . 0.0 110.918 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.747 ' O ' HG22 ' A' ' 21' ' ' VAL . 12.6 p 36.93 37.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.728 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.41 6.21 1.86 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.594 -1.003 . . . . 0.0 110.594 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.567 ' O ' ' OG1' ' A' ' 27' ' ' THR . . . -132.29 23.89 4.03 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.546 ' O ' HG22 ' A' ' 25' ' ' ILE . . . 69.7 4.01 44.56 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.569 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER 69.83 -49.07 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 110.766 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -64.92 -31.77 73.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.41 -179.637 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.633 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.4 m -63.26 -49.86 72.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.596 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.01 -45.57 62.3 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.554 ' O ' HG13 ' A' ' 33' ' ' VAL . 55.5 t -65.76 -43.04 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-O 120.784 0.326 . . . . 0.0 110.433 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.568 ' O ' ' CG2' ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 27' ' ' THR . 25.0 t -65.25 -44.81 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.768 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.561 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -62.27 -44.28 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 -179.75 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' A' ' 30' ' ' DBU . 27.8 m -64.8 -43.1 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.681 ' C ' ' HB2' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 35' ' ' LEU . 34.5 tp -49.0 -11.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.315 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.586 ' H ' ' C ' ' A' ' 34' ' ' DAL . 75.3 mmtt -101.72 -53.53 2.95 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.152 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -101.54 -14.57 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.465 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.681 ' HB2' ' C ' ' A' ' 34' ' ' DAL . 79.3 m . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.448 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.463 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.505 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.52 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 50.2 Cg_exo -55.28 -41.52 77.49 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.131 2.554 . . . . 0.0 112.222 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 7' ' ' VAL . 75.9 t -63.32 -46.97 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.479 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.7 m -69.73 -43.15 72.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.637 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.84 92.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.003 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 4' ' ' VAL . 0.7 OUTLIER -65.28 -42.91 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.489 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.524 ' N ' ' CG1' ' A' ' 7' ' ' VAL . . . -64.1 -37.85 88.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.65 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.12 89.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.08 -37.46 87.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.556 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.05 89.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.64 84.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.759 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.648 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.01 -46.55 87.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.648 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.66 ' O ' ' CG ' ' A' ' 20' ' ' TRP . . . -83.44 -51.14 7.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.245 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 1.056 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -77.1 -73.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.146 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.654 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 13.2 p -58.4 -46.34 86.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.145 0.497 . . . . 0.0 110.504 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.654 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -55.62 -43.87 86.09 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.66 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 9.6 m0 -65.56 -46.75 78.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.895 0.378 . . . . 0.0 110.548 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.056 HG12 ' O ' ' A' ' 17' ' ' ALA . 0.8 OUTLIER -78.3 -80.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.655 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.842 ' H ' HG13 ' A' ' 21' ' ' VAL . . . 42.28 15.65 0.02 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 21' ' ' VAL . . . 71.92 -1.78 29.54 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.42 -35.55 92.1 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.701 HG23 ' H ' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -59.51 -55.76 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.991 0.425 . . . . 0.0 111.108 -179.563 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.701 ' H ' HG23 ' A' ' 25' ' ' ILE . 88.6 t80 -61.68 -44.86 96.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.507 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.445 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 20.8 m -60.65 -47.54 85.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.412 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -64.36 -40.11 97.54 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.94 ' O ' HG12 ' A' ' 33' ' ' VAL . 41.2 t -63.98 -45.81 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 120.749 0.309 . . . . 0.0 110.62 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.566 ' O ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.3 t -66.7 -46.05 86.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.52 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 55.9 t -63.01 -47.78 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.106 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.94 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.3 p -60.76 -57.35 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 120.976 0.417 . . . . 0.0 110.458 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.637 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 35.4 tp -50.79 -14.51 0.21 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.169 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 75.7 mmtt -102.1 -51.74 3.32 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.802 0.334 . . . . 0.0 111.661 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -99.53 -16.47 18.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 111.493 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.637 ' N ' ' O ' ' A' ' 34' ' ' DAL . 75.9 m . . . . . 0 C--N 1.324 -0.539 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.639 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.557 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.557 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 50.3 Cg_exo -54.84 -40.93 82.77 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.877 2.384 . . . . 0.0 112.115 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.11 -47.66 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 97.7 m -69.49 -42.25 75.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.765 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.38 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.614 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 3' ' ' PRO . 55.4 t -65.36 -44.15 94.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.675 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.21 -37.02 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.593 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.71 95.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.12 -36.88 85.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.507 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -62.13 -41.03 97.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.558 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.8 80.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.654 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.69 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -66.84 -38.78 87.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.568 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.69 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.645 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -91.88 -57.54 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.786 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.83 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -62.09 -48.1 81.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 81.2 m -59.59 -35.71 74.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.701 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.1 -47.77 6.86 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.645 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 50.5 m95 -65.44 -49.76 67.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.679 0.276 . . . . 0.0 110.85 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 17' ' ' ALA . 3.0 m -28.71 89.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.684 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -89.15 -23.93 33.31 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.41 -47.8 1.78 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.05 -41.86 99.73 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -65.86 -41.84 90.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 110.589 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.521 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -65.44 -28.96 69.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.623 179.788 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.483 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 19.8 m -63.26 -48.74 76.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.565 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.87 -45.52 73.56 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 33' ' ' VAL . 30.4 t -65.14 -44.45 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-O 120.806 0.336 . . . . 0.0 110.666 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.611 ' C ' HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.483 ' HB ' ' O ' ' A' ' 27' ' ' THR . 2.3 t -63.92 -46.37 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.529 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.8 t -64.0 -44.86 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.611 HG22 ' C ' ' A' ' 30' ' ' DBU . 21.7 m -61.39 -41.56 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.662 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.649 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -61.22 -42.45 98.62 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.488 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 73.5 mmtt -63.79 -37.63 88.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.979 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' VAL . 95.8 m-70 -114.61 -63.2 1.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.321 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.662 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.8 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.956 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.544 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.544 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 41.9 Cg_exo -55.63 -40.09 87.34 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.814 2.343 . . . . 0.0 112.121 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.4 -47.57 92.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.621 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 68.4 m -68.39 -39.08 81.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.17 91.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 3' ' ' PRO . 53.2 t -63.76 -45.19 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.626 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.07 97.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.38 87.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.85 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.53 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.91 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.29 -36.05 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.631 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.699 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -61.36 -38.27 86.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.699 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' O ' ' HD1' ' A' ' 20' ' ' TRP . . . -92.09 -52.65 4.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.624 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.1 -50.6 72.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.643 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.626 ' N ' ' O ' ' A' ' 14' ' ' ALA . 98.9 m -60.44 -41.29 93.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.88 -50.03 63.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.532 ' O ' ' C ' ' A' ' 21' ' ' VAL . 22.2 m95 -67.35 -38.5 84.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.324 . . . . 0.0 110.576 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.091 HG23 ' CG2' ' A' ' 25' ' ' ILE . 12.3 p 27.56 80.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.51 10.73 21.75 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.954 ' O ' HG23 ' A' ' 27' ' ' THR . . . 105.17 -21.44 35.57 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.71 -43.91 83.06 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.091 ' CG2' HG23 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -66.77 -48.54 79.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 110.764 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.507 ' N ' HG23 ' A' ' 25' ' ' ILE . 65.5 t80 -59.95 -46.12 90.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.567 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.954 HG23 ' O ' ' A' ' 23' ' ' GLY . 74.2 p -58.81 -46.48 87.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.41 92.99 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.0 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.4 t -65.07 -45.29 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.57 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.691 ' O ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.557 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.2 t -69.08 -46.27 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.585 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.513 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 45.4 t -64.32 -47.93 87.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.672 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.0 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.2 p -50.99 -68.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.763 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 13.2 tp -59.55 -24.02 63.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.538 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.89 -46.46 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -103.4 -24.13 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.748 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.763 ' N ' ' O ' ' A' ' 34' ' ' DAL . 56.2 m . . . . . 0 C--O 1.218 -0.569 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.763 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.83 ' O ' HG22 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.435 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.435 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 48.1 Cg_exo -54.55 -49.59 16.3 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.869 2.379 . . . . 0.0 112.523 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 1' ' ' ABA . 15.6 m -64.28 -38.92 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.6 m -67.06 -41.57 86.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.591 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.14 -46.91 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -64.52 -41.78 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.517 ' N ' ' CG1' ' A' ' 7' ' ' VAL . . . -63.83 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.552 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.39 90.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.476 ' O ' ' HB1' ' A' ' 15' ' ' DHA . . . -63.0 -39.31 94.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.568 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.55 87.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.91 -66.25 0.58 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.702 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.64 -38.94 93.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.702 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.641 ' O ' ' CB ' ' A' ' 20' ' ' TRP . . . -88.05 -43.54 11.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.578 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.676 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -74.58 -73.34 0.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.651 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 16.3 p -63.75 -48.93 75.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.733 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.651 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -56.14 -57.29 19.85 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.641 ' CB ' ' O ' ' A' ' 16' ' ' ALA . 10.6 t-105 -64.83 -45.09 87.64 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.716 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.882 ' O ' HG22 ' A' ' 25' ' ' ILE . 54.4 t -61.11 -45.05 99.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.591 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.07 -16.34 0.05 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . -131.89 -23.42 0.87 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.59 -35.98 91.85 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.882 HG22 ' O ' ' A' ' 21' ' ' VAL . 0.6 OUTLIER -60.75 -68.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.793 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.864 ' H ' HG23 ' A' ' 25' ' ' ILE . 84.0 t80 -60.07 -45.55 92.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.441 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.549 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 97.0 m -61.26 -48.13 82.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.553 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -66.66 -41.94 93.6 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.761 ' O ' HG13 ' A' ' 33' ' ' VAL . 30.5 t -65.48 -44.33 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-O 120.773 0.32 . . . . 0.0 110.74 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.574 ' C ' HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 27' ' ' THR . 40.8 t -64.5 -44.79 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.613 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 28' ' ' GLY . 41.6 t -62.55 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.725 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 29' ' ' VAL . 35.3 m -63.62 -44.12 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.689 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.469 ' HA ' HD12 ' A' ' 35' ' ' LEU . 14.1 tp -54.18 -15.37 1.48 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.235 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' N ' ' C ' ' A' ' 34' ' ' DAL . 75.8 mmtt -102.15 -51.84 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.116 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -98.63 -19.33 17.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.689 ' N ' ' O ' ' A' ' 34' ' ' DAL . 74.9 m . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.609 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.545 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.545 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 50.0 Cg_exo -55.0 -41.71 76.27 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 123.05 2.5 . . . . 0.0 112.185 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.12 -45.71 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.642 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.5 m -65.54 -39.27 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.43 94.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.704 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 3' ' ' PRO . 55.7 t -63.71 -44.75 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.567 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.79 92.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.531 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.01 89.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.519 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.12 93.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.645 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.44 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.94 -37.91 89.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.449 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.727 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.15 -36.59 84.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.727 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.633 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -90.56 -53.13 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.057 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.33 -48.85 80.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.107 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 14' ' ' ALA . 66.7 m -60.63 -38.07 83.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.33 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.39 -40.1 98.18 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.633 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 96.8 m95 -62.32 -40.82 97.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.732 0.301 . . . . 0.0 110.748 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.733 HG23 ' N ' ' A' ' 25' ' ' ILE . 8.5 p 30.67 42.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.682 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -57.78 -1.62 0.63 Allowed Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.591 -1.003 . . . . 0.0 110.591 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 24' ' ' GLY . . . -165.43 52.72 0.27 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . 54.7 116.05 0.01 OUTLIER Glycine 0 CA--C 1.521 0.451 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.81 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -36.79 -27.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.025 0.44 . . . . 0.0 110.097 -179.729 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' N ' ' O ' ' A' ' 24' ' ' GLY . 91.9 t80 -58.76 -44.36 90.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.617 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.553 ' HB ' ' O ' ' A' ' 23' ' ' GLY . 96.5 m -59.98 -45.61 92.16 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.237 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.552 ' O ' HG12 ' A' ' 32' ' ' VAL . . . -64.86 -39.02 96.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.79 HG23 ' CD1' ' A' ' 25' ' ' ILE . 38.5 t -64.61 -44.55 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.809 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.578 ' C ' HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 27' ' ' THR . 2.3 t -63.76 -46.56 94.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.596 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 33' ' ' VAL . 12.4 p -63.58 -45.04 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.578 HG22 ' C ' ' A' ' 30' ' ' DBU . 29.5 m -63.44 -44.87 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.637 ' C ' ' HB2' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -49.54 -15.85 0.18 Allowed 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.449 179.535 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.529 ' N ' ' C ' ' A' ' 34' ' ' DAL . 68.9 mttm -100.61 -52.7 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.034 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -99.29 -17.25 18.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.538 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.637 ' HB2' ' C ' ' A' ' 34' ' ' DAL . 85.7 m . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.59 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.738 ' O ' HG22 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.446 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.446 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 52.5 Cg_exo -54.82 -49.09 17.89 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 123.01 2.474 . . . . 0.0 112.637 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 1' ' ' ABA . 8.2 m -64.59 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.912 0.387 . . . . 0.0 110.457 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.7 m -64.46 -41.3 96.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.638 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.19 93.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 3' ' ' PRO . 58.0 t -62.91 -45.6 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.72 90.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.652 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.79 88.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.38 90.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.596 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.29 93.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.653 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.97 89.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.729 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.54 -36.85 85.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.532 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.729 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.561 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -90.92 -54.66 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.781 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.91 -49.43 77.84 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.039 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.617 ' N ' ' O ' ' A' ' 14' ' ' ALA . 91.7 m -61.67 -40.09 93.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.421 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.7 -48.53 76.34 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.561 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 95.0 m95 -66.1 -43.7 86.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.888 0.375 . . . . 0.0 110.803 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.799 HG12 ' H ' ' A' ' 23' ' ' GLY . 60.1 t -82.74 130.44 35.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.428 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.52 24.11 1.2 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.799 ' H ' HG12 ' A' ' 21' ' ' VAL . . . 88.27 -3.01 85.54 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.11 -39.62 94.71 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.708 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -66.18 -41.81 90.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.554 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' O ' HG12 ' A' ' 29' ' ' VAL . 81.5 t80 -60.51 -45.8 92.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.522 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.692 ' O ' HG23 ' A' ' 31' ' ' VAL . 51.1 p -66.32 -33.15 75.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.461 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -65.93 -43.41 93.75 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.944 ' O ' HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -64.5 -43.2 96.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.814 0.34 . . . . 0.0 110.69 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.671 ' O ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.728 ' O ' HD23 ' A' ' 35' ' ' LEU . 45.8 t -68.62 -46.25 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.774 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 54.5 t -64.51 -48.51 84.72 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.899 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.944 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.1 p -49.21 -69.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.017 0.437 . . . . 0.0 110.412 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.575 ' O ' ' O ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 31' ' ' VAL . 3.4 mm? -60.99 -38.02 84.54 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 67.7 mmtt -61.56 -38.93 89.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.416 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -127.19 -65.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.534 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.649 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.873 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.47 ' HA ' ' HB3' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.635 ' HB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.635 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 36.4 Cg_endo -66.16 -33.48 40.06 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.016 2.477 . . . . 0.0 112.418 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.1 -48.95 83.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.963 0.411 . . . . 0.0 110.729 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.608 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 11.6 p -83.78 -43.66 15.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.608 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . -57.15 -47.08 82.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.47 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.536 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 66.2 t -65.22 -45.98 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.641 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.03 97.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.651 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.61 88.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.96 95.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.565 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.16 93.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.608 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.91 89.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.725 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.729 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.35 -37.5 87.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.729 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.622 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -91.28 -50.76 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.756 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.63 72.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.783 ' O ' HG23 ' A' ' 21' ' ' VAL . 97.3 m -60.95 -37.6 82.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.427 . . . . 0.0 110.569 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.6 -36.67 76.65 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.644 ' O ' ' C ' ' A' ' 21' ' ' VAL . 16.6 m0 -75.24 -51.55 13.04 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.037 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 18' ' ' CYS . 2.1 t 2.42 95.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.23 0.072 0 O-C-N 123.545 0.528 . . . . 0.0 110.722 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -89.04 10.41 73.01 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.14 -11.88 51.98 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.17 -38.76 96.39 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.831 HD13 HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -65.85 -41.81 90.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 0.0 110.603 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.522 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 87.7 t80 -60.61 -44.41 96.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.496 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 94.1 m -57.82 -48.75 78.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.437 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.559 ' O ' HG12 ' A' ' 31' ' ' VAL . . . -66.06 -37.06 92.76 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.831 HG23 HD13 ' A' ' 25' ' ' ILE . 62.6 t -66.49 -43.12 91.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 110.653 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.585 ' O ' ' CG2' ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.583 ' CG1' ' N ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -61.77 -46.06 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.55 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.954 HG22 ' HE3' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -62.19 -46.18 97.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.639 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.587 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 21.0 m -63.42 -42.21 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.289 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.679 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' A' ' 35' ' ' LEU . 37.4 tp -59.79 -40.49 88.46 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.521 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.954 ' HE3' HG22 ' A' ' 32' ' ' VAL . 97.5 mttt -61.98 -37.89 86.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.83 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -120.06 -61.03 1.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.392 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.679 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.4 p . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.119 -0.944 . . . . 0.0 110.974 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.51 ' HG1' ' HB3' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.553 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 7' ' ' VAL . 53.0 Cg_exo -57.83 -33.63 97.19 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 123.073 2.515 . . . . 0.0 112.137 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 79.2 t -61.56 -47.38 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.065 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.553 ' SG ' ' N ' ' A' ' 2' ' ' DBU . 0.5 OUTLIER -79.91 -53.46 6.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.316 0.579 . . . . 0.0 110.638 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.43 -46.55 63.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.527 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 3' ' ' PRO . 78.3 t -63.82 -45.14 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.469 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.82 92.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.682 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.62 91.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.557 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.42 94.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.609 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.87 89.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.621 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.59 87.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.735 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.35 -36.19 82.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.735 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 20' ' ' TRP . . . -90.28 -49.73 6.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.942 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.83 -50.32 72.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.268 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 88.1 m -63.24 -44.13 96.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.09 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.36 -31.59 74.45 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.482 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -58.49 -51.19 70.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.982 0.42 . . . . 0.0 111.336 -179.484 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.841 HG21 ' HB ' ' A' ' 25' ' ' ILE . 37.4 t -69.2 -22.35 25.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.383 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.43 17.31 62.54 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.92 -5.77 63.92 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.59 -40.94 96.29 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.841 ' HB ' HG21 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -67.78 -42.41 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.002 0.429 . . . . 0.0 110.686 -179.748 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.507 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 85.2 t80 -60.79 -43.66 97.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.382 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.662 ' O ' HG23 ' A' ' 31' ' ' VAL . 19.8 m -58.9 -46.23 88.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.396 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.505 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -65.35 -42.12 96.23 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.966 ' O ' HG12 ' A' ' 33' ' ' VAL . 43.7 t -64.89 -45.0 96.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.786 0.327 . . . . 0.0 110.94 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.683 ' O ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 27' ' ' THR . 56.1 t -68.24 -45.32 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.805 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.577 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 2.3 t -62.79 -49.67 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.046 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.704 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.966 HG12 ' O ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -50.94 -70.15 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.968 0.413 . . . . 0.0 109.979 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.67 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 35' ' ' LEU . 44.5 tp -59.98 -40.92 90.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.711 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 71.0 mmtt -61.62 -39.04 89.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -117.8 -58.37 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.74 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.67 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.6 p . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.933 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.648 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.648 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 50.4 Cg_exo -55.09 -40.84 83.78 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.067 2.512 . . . . 0.0 112.123 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 1' ' ' ABA . 69.8 t -63.92 -45.98 95.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.512 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.461 ' H ' ' C ' ' A' ' 1' ' ' ABA . 18.8 m -64.91 -38.63 91.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.595 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.44 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.36 -45.36 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.16 90.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.565 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -63.85 -37.61 88.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.533 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.82 87.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.521 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.32 -19.88 55.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -64.78 -38.0 89.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.728 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -62.9 -35.45 80.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.568 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.728 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.63 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -90.51 -50.03 6.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.004 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -60.74 -49.74 76.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.134 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.866 ' O ' HG22 ' A' ' 21' ' ' VAL . 96.6 m -62.71 -40.79 98.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.431 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.11 -40.22 92.82 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.63 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 13.4 m0 -62.74 -36.32 82.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.348 . . . . 0.0 111.035 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.866 HG22 ' O ' ' A' ' 18' ' ' CYS . 3.9 m -36.78 -24.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.779 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -58.85 -1.14 0.78 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' A' ' 21' ' ' VAL . . . -158.46 -35.72 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.27 -37.27 94.28 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.754 HD13 HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -65.78 -42.62 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.354 . . . . 0.0 110.645 -179.737 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.526 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 90.3 t80 -61.09 -44.6 97.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.662 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 31' ' ' VAL . 95.8 m -60.92 -46.34 91.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.318 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.21 -42.5 94.24 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.754 HG23 HD13 ' A' ' 25' ' ' ILE . 30.2 t -64.64 -44.67 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.29 . . . . 0.0 110.83 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.598 ' C ' HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 27' ' ' THR . 27.3 t -64.16 -45.04 97.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.773 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.653 HG13 ' HE3' ' A' ' 36' ' ' LYS . 23.8 t -63.44 -45.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 29' ' ' VAL . 26.8 m -63.17 -43.01 98.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.092 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.554 ' O ' ' OXT' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 35' ' ' LEU . 48.9 tp -61.16 -42.14 98.03 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.227 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.653 ' HE3' HG13 ' A' ' 32' ' ' VAL . 97.8 mttt -62.02 -39.63 92.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -120.04 -83.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.13 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.631 ' SG ' ' O ' ' A' ' 38' ' ' CYS . 1.5 p . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.748 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.532 ' HG1' ' HB3' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.525 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.534 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 50.2 Cg_exo -57.29 -33.74 96.64 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 123.102 2.535 . . . . 0.0 112.285 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 65.7 t -61.58 -47.56 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.316 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.532 ' HB3' ' HG1' ' A' ' 1' ' ' ABA . 0.5 OUTLIER -79.13 -62.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.105 0.478 . . . . 0.0 110.508 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -39.83 -48.27 2.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.497 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.534 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 51.5 t -64.09 -44.96 97.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.58 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.576 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.08 -37.94 89.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.533 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.83 88.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.607 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.42 91.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.508 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -64.4 -37.9 89.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.71 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.58 98.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.607 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.715 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -65.25 -36.36 83.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.468 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.715 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.62 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -90.85 -56.66 3.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.053 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.58 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -61.82 -47.8 83.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.143 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.654 ' O ' HG23 ' A' ' 21' ' ' VAL . 85.4 m -63.0 -41.08 99.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.63 -40.15 98.32 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 17.9 m0 -71.25 -74.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.716 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 21.06 46.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.869 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.612 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -77.55 0.46 69.88 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.58 -68.55 0.95 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.06 -38.27 95.76 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.723 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -65.78 -41.99 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.956 0.408 . . . . 0.0 110.548 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' O ' HG12 ' A' ' 29' ' ' VAL . 87.1 t80 -60.5 -46.06 91.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.443 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.693 ' O ' HG23 ' A' ' 31' ' ' VAL . 52.6 p -66.79 -33.37 75.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.489 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 1.025 ' O ' HG13 ' A' ' 32' ' ' VAL . . . -65.16 -45.65 90.8 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.945 ' O ' HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -63.73 -43.28 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.798 0.332 . . . . 0.0 110.652 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.674 ' O ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.088 ' O ' HD23 ' A' ' 35' ' ' LEU . 24.3 t -66.8 -48.06 80.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.948 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.025 HG13 ' O ' ' A' ' 28' ' ' GLY . 5.0 m -65.75 -47.83 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.945 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.1 p -48.42 -69.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.645 ' HB3' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.088 HD23 ' O ' ' A' ' 31' ' ' VAL . 3.7 mm? -61.78 -42.55 99.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.698 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.706 ' HB3' ' CE1' ' A' ' 37' ' ' HIS . 75.7 mmtt -65.18 -44.59 87.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.571 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.706 ' CE1' ' HB3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER 165.39 86.07 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.645 ' N ' ' HB3' ' A' ' 34' ' ' DAL . 7.6 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.872 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.534 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.534 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.592 ' O ' HG23 ' A' ' 7' ' ' VAL . 28.6 Cg_endo -61.83 -29.5 82.86 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.099 2.533 . . . . 0.0 112.126 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 70.8 t -63.99 -45.34 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.455 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.2 m -64.38 -42.42 96.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.13 95.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.545 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 3' ' ' PRO . 54.6 t -64.14 -45.17 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.575 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -64.28 -37.61 88.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.596 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.74 88.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.534 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -39.52 94.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.53 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -64.75 -37.95 89.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.498 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.76 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.36 -36.85 85.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.73 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.83 -48.9 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.212 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -62.74 -46.13 89.51 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.681 -178.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.598 ' N ' ' O ' ' A' ' 14' ' ' ALA . 38.8 m -60.89 -39.39 89.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.343 . . . . 0.0 110.379 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.97 -61.74 2.21 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.596 ' O ' ' C ' ' A' ' 21' ' ' VAL . 97.1 m95 -61.46 -41.06 96.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.661 0.267 . . . . 0.0 110.659 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.828 ' O ' HG13 ' A' ' 21' ' ' VAL . 8.9 p 18.39 63.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.226 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.81 6.16 2.98 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 21' ' ' VAL . . . 99.86 -10.05 60.34 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.33 -37.7 94.85 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.764 HG21 HG23 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -61.54 -53.64 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.124 0.488 . . . . 0.0 110.806 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.677 ' H ' HG23 ' A' ' 25' ' ' ILE . 71.7 t80 -61.71 -43.72 98.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.334 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 31' ' ' VAL . 82.3 m -60.83 -46.1 91.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.396 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.423 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -66.0 -42.4 94.73 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 33' ' ' VAL . 25.5 t -65.02 -44.71 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.298 . . . . 0.0 110.979 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.598 ' C ' HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 27' ' ' THR . 35.4 t -63.59 -45.46 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.666 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.889 HG13 ' HE3' ' A' ' 36' ' ' LYS . 2.1 t -63.48 -45.43 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 29' ' ' VAL . 29.1 m -61.38 -42.71 94.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.653 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.1 tp -61.55 -42.03 98.24 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.631 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.889 ' HE3' HG13 ' A' ' 32' ' ' VAL . 97.9 mttt -62.81 -37.85 88.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.333 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -118.19 -56.94 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.985 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.653 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.9 p . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.975 -1.012 . . . . 0.0 111.029 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.638 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.638 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.506 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 50.2 Cg_exo -54.98 -40.71 84.48 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.063 2.508 . . . . 0.0 112.11 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 1' ' ' ABA . 56.7 t -63.66 -46.08 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.632 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' H ' ' C ' ' A' ' 1' ' ' ABA . 14.3 m -63.8 -37.09 86.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.537 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.42 91.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.745 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.08 -44.55 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.639 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.49 -34.79 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.49 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.47 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.467 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.45 87.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.562 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.26 -34.24 23.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.667 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 -27.23 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.716 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.43 -37.87 88.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.593 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.716 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -90.71 -58.21 2.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.918 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.739 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -61.97 -47.65 83.88 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.146 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 93.4 m -62.08 -39.85 93.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.78 -41.45 99.11 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.566 ' HA ' ' CE3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -65.69 -78.54 0.05 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.063 0.458 . . . . 0.0 110.256 179.677 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -45.35 96.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.531 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -77.49 23.66 2.34 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.609 ' O ' ' O ' ' A' ' 24' ' ' GLY . . . 157.27 51.36 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.559 -1.017 . . . . 0.0 110.559 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.609 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . 50.66 111.53 0.01 OUTLIER Glycine 0 CA--C 1.522 0.489 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.975 HD12 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -34.34 -31.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.371 0.605 . . . . 0.0 110.765 -179.678 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 24' ' ' GLY . 84.7 t80 -55.46 -42.78 74.75 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.431 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.703 ' O ' HG23 ' A' ' 31' ' ' VAL . 97.0 m -58.34 -45.2 88.58 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.451 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.96 -43.74 93.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.774 HG23 HD11 ' A' ' 25' ' ' ILE . 23.8 t -64.8 -44.26 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.776 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.596 ' O ' ' CG2' ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 27' ' ' THR . 39.3 t -66.01 -44.33 92.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.76 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.57 ' CG1' ' HG3' ' A' ' 36' ' ' LYS . 21.9 t -63.76 -44.25 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.596 ' CG2' ' O ' ' A' ' 30' ' ' DBU . 16.1 m -61.35 -41.0 88.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.135 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.672 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' A' ' 35' ' ' LEU . 41.4 tp -60.63 -41.87 95.76 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.571 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.57 ' HG3' ' CG1' ' A' ' 32' ' ' VAL . 73.4 mmtt -63.74 -39.27 93.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -113.54 -60.11 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.672 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.9 p . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.019 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.66 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.66 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 47.9 Cg_exo -55.05 -40.54 85.36 Favored 'Trans proline' 0 C--N 1.302 -1.882 0 C-N-CA 122.774 2.316 . . . . 0.0 111.993 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 1' ' ' ABA . 65.3 t -63.56 -45.99 96.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.661 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' H ' ' C ' ' A' ' 1' ' ' ABA . 22.0 m -65.83 -39.68 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.552 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.91 97.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.68 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 3' ' ' PRO . 64.9 t -62.97 -44.89 99.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.74 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.88 92.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.615 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.71 88.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.97 -45.05 91.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.586 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.0 85.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.651 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.6 93.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.692 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.729 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.58 -36.8 85.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.731 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.729 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.537 ' O ' ' HD1' ' A' ' 20' ' ' TRP . . . -91.97 -49.93 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.77 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.34 73.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.812 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.756 ' O ' HG23 ' A' ' 21' ' ' VAL . 92.5 m -63.01 -40.86 99.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.791 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.0 -52.38 33.17 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.596 ' O ' ' C ' ' A' ' 21' ' ' VAL . 89.0 m95 -68.04 -41.49 82.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.65 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.952 HG22 HG21 ' A' ' 25' ' ' ILE . 25.3 t 22.33 72.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.56 20.47 14.33 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.69 -18.08 56.59 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.8 -41.93 99.68 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.952 HG21 HG22 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -65.15 -47.66 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.75 0.31 . . . . 0.0 110.786 179.655 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.427 ' N ' HG23 ' A' ' 25' ' ' ILE . 20.8 t80 -60.03 -33.05 71.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.454 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.6 m -62.45 -46.03 90.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.46 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.823 ' O ' HG12 ' A' ' 32' ' ' VAL . . . -65.56 -42.61 95.52 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.795 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.4 t -64.81 -44.04 96.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 110.482 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.565 ' O ' ' CG1' ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 27' ' ' THR . 42.4 t -67.46 -44.74 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.845 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.823 HG12 ' O ' ' A' ' 28' ' ' GLY . 8.4 p -63.21 -46.13 96.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.741 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.795 HG12 ' O ' ' A' ' 29' ' ' VAL . 2.2 p -59.03 -57.75 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.722 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 14.5 tp -60.33 -22.35 63.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.648 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -94.24 -47.67 6.53 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.211 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -103.05 -24.56 13.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.47 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.722 ' N ' ' O ' ' A' ' 34' ' ' DAL . 40.2 m . . . . . 0 C--N 1.32 -0.686 0 CA-C-O 117.861 -1.066 . . . . 0.0 110.638 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.627 ' HB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.627 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 36.6 Cg_endo -66.34 -32.81 40.35 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 123.001 2.467 . . . . 0.0 112.258 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.74 -49.45 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.796 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 11.1 p -83.95 -43.05 15.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.589 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . -57.64 -48.23 80.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.511 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.546 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 74.7 t -64.83 -44.99 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.451 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.9 99.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.496 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.22 -44.81 96.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.543 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.36 -39.34 93.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.533 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.36 68.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.703 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -62.12 -37.18 84.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.703 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.609 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -91.56 -55.76 3.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.784 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.94 78.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.008 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.621 ' N ' ' O ' ' A' ' 14' ' ' ALA . 93.1 m -61.61 -40.44 94.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.568 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.14 -42.45 99.73 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 11.2 m95 -62.01 -38.72 89.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.734 0.302 . . . . 0.0 110.849 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.867 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.2 p 28.74 48.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.762 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.47 17.29 0.85 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.622 ' O ' HG23 ' A' ' 27' ' ' THR . . . 139.35 -7.34 3.12 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.518 ' HA2' ' OG1' ' A' ' 27' ' ' THR . . . -62.45 -35.26 91.46 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.77 HG23 ' H ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -53.8 -59.75 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.847 0.355 . . . . 0.0 110.875 -179.876 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.77 ' H ' HG23 ' A' ' 25' ' ' ILE . 89.8 t80 -58.75 -44.18 90.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.395 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.815 ' C ' HG13 ' A' ' 31' ' ' VAL . 82.7 p -60.43 -97.79 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.305 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.29 -55.07 0.01 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.562 ' HB ' ' O ' ' A' ' 25' ' ' ILE . 13.4 t -67.32 -48.53 77.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.889 0.376 . . . . 0.0 111.597 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.641 ' N ' ' O ' ' A' ' 27' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.815 HG13 ' C ' ' A' ' 27' ' ' THR . 2.2 m -63.34 -41.13 91.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.615 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 2.1 t -63.23 -47.44 92.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.606 ' CG2' ' O ' ' A' ' 30' ' ' DBU . 20.5 m -60.69 -42.73 93.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.349 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.685 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.2 -39.17 89.21 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.566 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.615 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 54.4 tptt -64.24 -35.44 80.84 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.759 0.314 . . . . 0.0 110.618 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' VAL . 99.8 m-70 -120.89 -60.09 1.68 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.461 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.685 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.6 p . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.778 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.608 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.608 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 31.1 Cg_endo -65.03 -23.97 60.54 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 C-N-CA 123.08 2.52 . . . . 0.0 112.099 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.451 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 45.3 t -64.51 -47.49 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.1 m -69.07 -42.94 75.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.638 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.82 84.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.654 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.22 -45.79 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-O 120.894 0.378 . . . . 0.0 110.732 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.02 88.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.527 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.98 84.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.81 97.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.539 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.15 -35.71 81.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.558 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.44 -38.75 85.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.517 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.672 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -59.72 -47.63 84.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.672 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.62 ' O ' ' CG ' ' A' ' 20' ' ' TRP . . . -86.79 -46.69 9.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.585 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -82.81 -72.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.878 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.679 ' O ' HG23 ' A' ' 21' ' ' VAL . 14.2 p -57.57 -41.95 82.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.231 0.538 . . . . 0.0 110.456 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.575 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -61.65 -41.36 99.57 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.62 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 11.8 m95 -80.48 -73.84 0.34 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.686 0.279 . . . . 0.0 110.817 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 18' ' ' CYS . 2.0 t 40.81 18.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.671 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -71.88 4.13 17.43 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.56 -64.27 0.7 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.13 -40.15 98.83 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.713 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -67.12 -42.28 88.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.967 0.413 . . . . 0.0 110.682 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.525 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 87.8 t80 -61.39 -44.92 96.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 31' ' ' VAL . 19.7 m -59.68 -46.73 88.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.447 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.43 -41.81 96.23 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.666 HG23 HD13 ' A' ' 25' ' ' ILE . 24.3 t -65.72 -44.64 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-O 120.755 0.312 . . . . 0.0 110.733 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.603 ' O ' ' CG2' ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 27' ' ' THR . 24.5 t -65.52 -45.06 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.783 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.59 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 2.1 t -62.39 -45.86 97.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.603 ' CG2' ' O ' ' A' ' 30' ' ' DBU . 16.7 m -60.71 -42.01 90.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.326 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.709 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 35' ' ' LEU . 37.6 tp -61.44 -38.94 89.01 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.151 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.59 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 61.4 tttp -63.19 -33.7 76.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.816 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' VAL . 99.4 m-70 -124.36 -60.83 1.38 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.339 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.709 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.6 p . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.818 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.573 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.573 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.733 ' O ' HG23 ' A' ' 7' ' ' VAL . 33.3 Cg_endo -64.66 -24.74 62.19 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 123.024 2.483 . . . . 0.0 112.147 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 55.6 t -63.05 -47.28 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.53 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.7 m -68.57 -41.62 79.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.71 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.58 91.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 3' ' ' PRO . 54.3 t -63.77 -44.84 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.667 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.7 88.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.26 -39.11 93.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.74 98.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.743 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.48 94.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.58 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.96 -37.32 87.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.55 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.672 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -61.68 -42.78 99.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.696 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.672 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.663 ' O ' ' CG ' ' A' ' 20' ' ' TRP . . . -87.2 -48.59 7.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.473 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -76.54 -72.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.128 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.63 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 15.5 p -60.33 -46.51 89.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.113 0.482 . . . . 0.0 110.472 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.63 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -55.18 -44.2 83.92 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.663 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 9.6 m0 -65.02 -38.53 91.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 110.58 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.3 t -102.75 89.69 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.382 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.06 10.03 70.04 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.504 ' O ' ' HB ' ' A' ' 27' ' ' THR . . . 99.75 -6.46 58.79 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.07 -35.88 92.54 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.877 HG23 ' H ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -61.37 -67.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.974 -179.794 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.877 ' H ' HG23 ' A' ' 25' ' ' ILE . 87.7 t80 -60.16 -45.73 92.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.52 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' ' 23' ' ' GLY . 98.2 m -62.59 -45.61 92.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.574 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -65.28 -46.12 88.23 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.73 ' O ' HG13 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -65.4 -40.11 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.508 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.598 ' O ' HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.862 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -64.27 -43.33 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.645 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.03 HG12 ' HE2' ' A' ' 36' ' ' LYS . 54.3 t -62.95 -46.15 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.715 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 29' ' ' VAL . 29.2 m -61.94 -43.55 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.943 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.54 ' O ' ' O ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.862 HD23 ' O ' ' A' ' 31' ' ' VAL . 3.1 mm? -62.3 -42.71 99.59 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.541 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 1.03 ' HE2' HG12 ' A' ' 32' ' ' VAL . 51.9 mtmt -65.11 -40.2 94.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.703 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.518 ' O ' ' O ' ' A' ' 38' ' ' CYS . 78.2 m-70 -117.58 -88.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.646 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.6 p . . . . . 0 C--O 1.218 -0.574 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.765 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.493 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.493 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 31.7 Cg_endo -64.83 -29.34 58.81 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 123.029 2.486 . . . . 0.0 112.25 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.41 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 78.6 t -61.87 -47.48 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.595 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 90.9 m -67.02 -40.27 87.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.76 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.6 97.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.654 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 3' ' ' PRO . 51.1 t -65.18 -44.9 95.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.679 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.01 92.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.585 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.99 -37.92 89.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.86 -47.61 84.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.563 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.35 -39.04 93.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.98 86.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.625 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.723 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -62.4 -37.13 84.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.436 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.723 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 20' ' ' TRP . . . -91.62 -52.46 4.75 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.71 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -61.26 -49.97 74.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.622 ' N ' ' O ' ' A' ' 14' ' ' ALA . 82.0 m -60.09 -39.79 87.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.628 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.59 -65.27 1.74 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.579 ' O ' ' C ' ' A' ' 21' ' ' VAL . 40.9 m95 -60.23 -39.2 85.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.667 0.27 . . . . 0.0 110.71 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.848 ' O ' HG13 ' A' ' 21' ' ' VAL . 8.8 p 24.27 77.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.895 0.378 . . . . 0.0 110.59 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -76.52 28.67 1.5 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 21' ' ' VAL . . . 98.39 4.7 57.24 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.69 -34.55 90.24 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -65.64 -41.71 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.599 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.527 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 89.8 t80 -61.12 -44.48 97.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.378 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.656 ' O ' HG23 ' A' ' 31' ' ' VAL . 77.9 m -59.82 -48.14 82.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.515 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.526 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -65.17 -41.26 97.03 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.95 ' O ' HG12 ' A' ' 33' ' ' VAL . 29.6 t -65.68 -45.13 92.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.73 0.3 . . . . 0.0 110.598 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.574 ' O ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 27' ' ' THR . 42.8 t -69.34 -44.12 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.744 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.61 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -61.75 -46.77 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.662 -179.467 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.95 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.4 p -62.65 -70.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.805 ' HB3' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' HA ' HD12 ' A' ' 35' ' ' LEU . 39.5 tp -61.74 -40.94 96.88 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.625 ' C ' ' CG ' ' A' ' 37' ' ' HIS . 98.7 mttt -80.41 -43.1 21.55 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.021 0.439 . . . . 0.0 110.608 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.625 ' CG ' ' C ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER 161.94 107.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.008 -179.513 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.805 ' N ' ' HB3' ' A' ' 34' ' ' DAL . 48.0 m . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.354 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 1.128 ' HG2' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.606 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.606 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 43.9 Cg_exo -55.87 -46.89 28.14 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.639 2.226 . . . . 0.0 112.284 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.658 ' HB ' ' CG ' ' A' ' 1' ' ' ABA . 76.0 t -64.43 -43.48 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.254 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 1.128 ' N ' ' HG2' ' A' ' 1' ' ' ABA . 1.5 m -70.06 -41.19 74.48 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.81 -41.02 97.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.609 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 3' ' ' PRO . 52.4 t -63.09 -47.38 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.64 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.35 -40.42 89.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.656 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -64.31 -36.19 83.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.8 90.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.604 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.71 -17.02 30.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -63.95 -47.49 80.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.615 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -65.04 -37.11 86.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.481 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' DHA . . . . . 0.73 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.616 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -91.4 -44.46 9.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.871 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.804 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -62.43 -48.6 78.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.02 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.631 ' N ' ' O ' ' A' ' 14' ' ' ALA . 23.2 m -59.15 -48.89 79.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.46 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.12 -40.71 82.64 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.616 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 19.2 m0 -62.62 -37.89 88.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.682 0.277 . . . . 0.0 110.814 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 17' ' ' ALA . 54.6 t -60.41 122.96 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.934 0.397 . . . . 0.0 110.465 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.21 -13.34 3.55 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 21' ' ' VAL . . . -118.9 -66.16 0.3 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -63.9 -37.16 94.24 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.773 HD13 HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -65.19 -44.19 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.671 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 86.6 t80 -62.05 -44.94 95.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.521 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.1 m -61.66 -46.54 89.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.31 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.42 -37.75 94.15 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.901 ' O ' HG12 ' A' ' 33' ' ' VAL . 30.3 t -65.73 -43.83 93.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.623 0.249 . . . . 0.0 110.721 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' DBU . . . . . 0.683 ' O ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 27' ' ' THR . 53.3 t -68.03 -47.3 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.682 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.587 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 49.7 t -64.59 -49.95 78.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.901 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.3 p -46.37 -68.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.405 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' DAL . . . . . 0.619 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.9 mt -59.06 -34.44 71.95 Favored 'General case' 0 CA--C 1.523 -0.091 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.84 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 67.2 mmtt -62.46 -39.13 92.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.955 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -131.06 -54.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.306 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.679 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.222 -0.381 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.966 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.597 ' O ' HG23 ' A' ' 7' ' ' VAL . 50.3 Cg_exo . . . . . 0 N--CA 1.49 1.282 0 CA-C-O 120.809 0.254 . . . . 0.0 112.491 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.523 HG12 ' N ' ' A' ' 5' ' ' CYS . 11.6 t -61.31 -72.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.995 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 16.0 p -65.36 -44.42 87.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.574 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . -54.55 -45.82 73.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.529 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 3' ' ' PRO . 39.6 t -63.85 -44.35 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.589 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.8 88.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.531 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.834 0.35 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.57 91.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.24 -47.1 87.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.635 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.609 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.566 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 120.722 0.296 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -50.63 72.79 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.127 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' ALA . 91.1 m . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.296 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.877 0.37 . . . . 0.0 110.68 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.527 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 80.0 t80 -61.18 -46.24 91.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.646 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.5 t -62.59 -45.4 93.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.434 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.474 ' N ' HG23 ' A' ' 27' ' ' THR . . . -65.08 -43.2 96.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.947 ' O ' HG13 ' A' ' 33' ' ' VAL . 2.3 t . . . . . 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.553 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 27' ' ' THR . 41.9 t . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.32 -46.27 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.029 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.947 HG13 ' O ' ' A' ' 29' ' ' VAL . 21.6 m . . . . . 0 C--N 1.328 -0.359 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 35' ' ' LEU . 42.4 tp . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 120.553 0.216 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -66.12 -47.22 74.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.622 0.249 . . . . 0.0 111.299 179.573 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -117.74 -30.31 5.48 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 111.529 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.634 -179.531 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.577 ' O ' HG23 ' A' ' 7' ' ' VAL . 48.4 Cg_exo . . . . . 0 N--CA 1.485 0.994 0 CA-C-O 120.721 0.217 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.52 -47.58 90.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.557 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 83.8 m -69.35 -42.15 75.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.715 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.09 97.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.646 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 3' ' ' PRO . 51.3 t -66.2 -44.31 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.765 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.66 -39.01 93.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.651 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.741 0.305 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -65.85 -38.19 88.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -63.12 -40.31 97.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.674 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.61 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.7 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.04 0 CA-C-O 120.93 0.395 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.07 78.97 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.61 ' N ' ' O ' ' A' ' 14' ' ' ALA . 66.1 m . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.569 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 110.766 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -64.92 -31.77 73.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.41 -179.637 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.633 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.4 m -63.26 -49.86 72.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.596 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.01 -45.57 62.3 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.554 ' O ' HG13 ' A' ' 33' ' ' VAL . 55.5 t . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.784 0.326 . . . . 0.0 110.433 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 27' ' ' THR . 25.0 t . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.688 0.28 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.561 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -62.27 -44.28 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 -179.75 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.561 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 27.8 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 35' ' ' LEU . 34.5 tp . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 75.3 mmtt -101.72 -53.53 2.95 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.152 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -101.54 -14.57 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.465 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.3 m . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.448 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.52 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 50.2 Cg_exo . . . . . 0 N--CA 1.489 1.225 0 CA-C-O 120.788 0.245 . . . . 0.0 112.222 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 7' ' ' VAL . 75.9 t -63.32 -46.97 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.479 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.7 m -69.73 -43.15 72.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.637 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.84 92.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.003 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 4' ' ' VAL . 0.7 OUTLIER -65.28 -42.91 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.489 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.524 ' N ' ' CG1' ' A' ' 7' ' ' VAL . . . -64.1 -37.85 88.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.65 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.848 0.356 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.05 89.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.64 84.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.759 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.86 0.362 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -77.1 -73.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.146 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.483 ' H ' ' HA ' ' A' ' 14' ' ' ALA . 13.2 p . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 121.145 0.497 . . . . 0.0 110.504 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.701 HG23 ' H ' ' A' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.991 0.425 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.701 ' H ' HG23 ' A' ' 25' ' ' ILE . 88.6 t80 -61.68 -44.86 96.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.507 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.445 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 20.8 m -60.65 -47.54 85.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.412 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -64.36 -40.11 97.54 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.94 ' O ' HG12 ' A' ' 33' ' ' VAL . 41.2 t . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.749 0.309 . . . . 0.0 110.62 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.3 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.701 0.286 . . . . 0.0 110.52 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 55.9 t -63.01 -47.78 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.106 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.94 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.3 p . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 120.976 0.417 . . . . 0.0 110.458 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 35.4 tp . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 75.7 mmtt -102.1 -51.74 3.32 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.802 0.334 . . . . 0.0 111.661 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -99.53 -16.47 18.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 111.493 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 75.9 m . . . . . 0 C--N 1.324 -0.539 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.639 -179.585 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.459 ' O ' HG23 ' A' ' 7' ' ' VAL . 50.3 Cg_exo . . . . . 0 N--CA 1.486 1.06 0 CA-C-O 120.688 0.203 . . . . 0.0 112.115 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.11 -47.66 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 97.7 m -69.49 -42.25 75.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.765 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.38 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.614 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 3' ' ' PRO . 55.4 t -65.36 -44.15 94.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.675 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.21 -37.02 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.593 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.76 0.314 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -62.13 -41.03 97.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.558 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.8 80.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.654 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.568 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.834 0.349 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.1 81.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 81.2 m . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.701 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.821 0.343 . . . . 0.0 110.589 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.521 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -65.44 -28.96 69.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.623 179.788 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.483 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 19.8 m -63.26 -48.74 76.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.565 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.87 -45.52 73.56 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 33' ' ' VAL . 30.4 t . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.806 0.336 . . . . 0.0 110.666 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.483 ' HB ' ' O ' ' A' ' 27' ' ' THR . 2.3 t . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.783 0.325 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.8 t -64.0 -44.86 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 29' ' ' VAL . 21.7 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.649 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.458 0 CA-C-O 120.876 0.37 . . . . 0.0 110.488 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 73.5 mmtt -63.79 -37.63 88.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.979 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' VAL . 95.8 m-70 -114.61 -63.2 1.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.321 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.637 ' SG ' ' O ' ' A' ' 38' ' ' CYS . 1.8 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.956 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.485 ' O ' HG23 ' A' ' 7' ' ' VAL . 41.9 Cg_exo . . . . . 0 N--CA 1.491 1.379 0 CA-C-O 120.824 0.26 . . . . 0.0 112.121 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.4 -47.57 92.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.621 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 68.4 m -68.39 -39.08 81.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.17 91.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 3' ' ' PRO . 53.2 t -63.76 -45.19 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.626 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.07 97.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.746 0.308 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.91 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.29 -36.05 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.631 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.626 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.302 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.866 0.365 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.1 -50.6 72.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.643 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.626 ' N ' ' O ' ' A' ' 14' ' ' ALA . 98.9 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.765 ' O ' HD12 ' A' ' 25' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.818 0.342 . . . . 0.0 110.764 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.507 ' N ' HG23 ' A' ' 25' ' ' ILE . 65.5 t80 -59.95 -46.12 90.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.567 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.485 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 74.2 p -58.81 -46.48 87.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.41 92.99 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.0 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.4 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.57 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.557 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.2 t . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.882 0.372 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.513 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 45.4 t -64.32 -47.93 87.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.672 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.0 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.2 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 13.2 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.853 0.358 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.89 -46.46 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -103.4 -24.13 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.748 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 C--O 1.218 -0.569 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.763 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo . . . . . 0 N--CA 1.488 1.147 0 CA-C-O 120.784 0.243 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.542 ' O ' HG12 ' A' ' 7' ' ' VAL . 15.6 m -64.28 -38.92 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.6 m -67.06 -41.57 86.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.591 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.14 -46.91 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -64.52 -41.78 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.517 ' N ' ' CG1' ' A' ' 7' ' ' VAL . . . -63.83 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.552 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.775 0.321 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.55 87.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.91 -66.25 0.58 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HA ' ' H ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.884 0.373 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -74.58 -73.34 0.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.568 ' H ' ' HA ' ' A' ' 14' ' ' ALA . 16.3 p . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.733 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.864 HG23 ' H ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.907 0.384 . . . . 0.0 110.793 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.864 ' H ' HG23 ' A' ' 25' ' ' ILE . 84.0 t80 -60.07 -45.55 92.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.441 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.534 ' O ' HG23 ' A' ' 31' ' ' VAL . 97.0 m -61.26 -48.13 82.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.553 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -66.66 -41.94 93.6 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.761 ' O ' HG13 ' A' ' 33' ' ' VAL . 30.5 t . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.773 0.32 . . . . 0.0 110.74 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 27' ' ' THR . 40.8 t . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.703 0.287 . . . . 0.0 110.613 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 28' ' ' GLY . 41.6 t -62.55 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.725 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 29' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.469 ' HA ' HD12 ' A' ' 35' ' ' LEU . 14.1 tp . . . . . 0 C--O 1.233 0.19 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 75.8 mmtt -102.15 -51.84 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.116 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -98.63 -19.33 17.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.9 m . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.609 -179.813 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.455 ' O ' HG23 ' A' ' 7' ' ' VAL . 50.0 Cg_exo . . . . . 0 N--CA 1.489 1.264 0 CA-C-O 120.863 0.276 . . . . 0.0 112.185 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.12 -45.71 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.642 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.5 m -65.54 -39.27 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.43 94.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.704 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 3' ' ' PRO . 55.7 t -63.71 -44.75 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.567 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.79 92.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.531 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.519 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.783 0.325 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.44 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.94 -37.91 89.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.449 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.615 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 120.621 0.248 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.33 -48.85 80.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.107 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 14' ' ' ALA . 66.7 m . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.33 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.81 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.025 0.44 . . . . 0.0 110.097 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -58.76 -44.36 90.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.617 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.452 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 96.5 m -59.98 -45.61 92.16 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.237 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.552 ' O ' HG12 ' A' ' 32' ' ' VAL . . . -64.86 -39.02 96.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.79 HG23 ' CD1' ' A' ' 25' ' ' ILE . 38.5 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.809 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 27' ' ' THR . 2.3 t . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.725 0.298 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 33' ' ' VAL . 12.4 p -63.58 -45.04 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.571 HG13 ' O ' ' A' ' 29' ' ' VAL . 29.5 m . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.537 ' HA ' HD13 ' A' ' 35' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.446 -0.667 0 CA-C-O 120.889 0.376 . . . . 0.0 110.449 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -100.61 -52.7 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.034 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -99.29 -17.25 18.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.538 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.7 m . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.59 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 7' ' ' VAL . 52.5 Cg_exo . . . . . 0 N--CA 1.493 1.491 0 CA-C-O 120.779 0.241 . . . . 0.0 112.637 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.2 m -64.59 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.912 0.387 . . . . 0.0 110.457 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.7 m -64.46 -41.3 96.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.638 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.19 93.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 3' ' ' PRO . 58.0 t -62.91 -45.6 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.72 90.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.652 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.844 0.355 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.29 93.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.653 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.97 89.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.617 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.532 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.781 0.324 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.91 -49.43 77.84 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.039 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.617 ' N ' ' O ' ' A' ' 14' ' ' ALA . 91.7 m . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.421 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.708 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.856 0.36 . . . . 0.0 110.554 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' O ' HG12 ' A' ' 29' ' ' VAL . 81.5 t80 -60.51 -45.8 92.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.522 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.692 ' O ' HG23 ' A' ' 31' ' ' VAL . 51.1 p -66.32 -33.15 75.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.461 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -65.93 -43.41 93.75 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.944 ' O ' HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.814 0.34 . . . . 0.0 110.69 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.728 ' O ' HD23 ' A' ' 35' ' ' LEU . 45.8 t . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.772 0.32 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 54.5 t -64.51 -48.51 84.72 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.899 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.944 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.1 p . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.017 0.437 . . . . 0.0 110.412 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 31' ' ' VAL . 3.4 mm? . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.967 0.413 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 67.7 mmtt -61.56 -38.93 89.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.416 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -127.19 -65.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.534 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.649 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.873 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.536 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 36.4 Cg_endo . . . . . 0 N--CA 1.479 0.666 0 CA-C-O 120.732 0.222 . . . . 0.0 112.418 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.1 -48.95 83.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.963 0.411 . . . . 0.0 110.729 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.608 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 11.6 p -83.78 -43.66 15.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.608 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . -57.15 -47.08 82.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.47 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.536 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 66.2 t -65.22 -45.98 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.641 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.03 97.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.651 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.81 0.338 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.16 93.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.608 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.91 89.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.725 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.619 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.774 0.321 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.63 72.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.619 ' N ' ' O ' ' A' ' 14' ' ' ALA . 97.3 m . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.427 . . . . 0.0 110.569 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.831 HD13 HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.947 0.403 . . . . 0.0 110.603 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.522 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 87.7 t80 -60.61 -44.41 96.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.496 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 94.1 m -57.82 -48.75 78.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.437 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.559 ' O ' HG12 ' A' ' 31' ' ' VAL . . . -66.06 -37.06 92.76 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.831 HG23 HD13 ' A' ' 25' ' ' ILE . 62.6 t . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 110.653 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.583 ' CG1' ' N ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.82 0.343 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.954 HG22 ' HE3' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -62.19 -46.18 97.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.639 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.587 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 21.0 m . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.289 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' A' ' 35' ' ' LEU . 37.4 tp . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.582 0.23 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.954 ' HE3' HG22 ' A' ' 32' ' ' VAL . 97.5 mttt -61.98 -37.89 86.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.83 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -120.06 -61.03 1.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.392 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 38' ' ' CYS . 1.4 p . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.119 -0.944 . . . . 0.0 110.974 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 7' ' ' VAL . 53.0 Cg_exo . . . . . 0 N--CA 1.489 1.238 0 CA-C-O 120.781 0.242 . . . . 0.0 112.137 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 79.2 t -61.56 -47.38 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.065 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.91 -53.46 6.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.316 0.579 . . . . 0.0 110.638 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.43 -46.55 63.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.527 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 3' ' ' PRO . 78.3 t -63.82 -45.14 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.469 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.82 92.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.682 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.557 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.846 0.355 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.87 89.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.621 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.59 87.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.661 0.267 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.83 -50.32 72.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.268 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 88.1 m . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.09 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.674 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.002 0.429 . . . . 0.0 110.686 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.507 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 85.2 t80 -60.79 -43.66 97.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.382 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.662 ' O ' HG23 ' A' ' 31' ' ' VAL . 19.8 m -58.9 -46.23 88.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.396 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.505 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -65.35 -42.12 96.23 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.966 ' O ' HG12 ' A' ' 33' ' ' VAL . 43.7 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.786 0.327 . . . . 0.0 110.94 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 27' ' ' THR . 56.1 t . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 120.811 0.338 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.577 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 2.3 t -62.79 -49.67 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.046 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.704 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.966 HG12 ' O ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 120.968 0.413 . . . . 0.0 109.979 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 35' ' ' LEU . 44.5 tp . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.821 0.344 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 71.0 mmtt -61.62 -39.04 89.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -117.8 -58.37 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.74 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.622 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.6 p . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.933 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 N--CA 1.49 1.302 0 CA-C-O 120.868 0.278 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.92 -45.98 95.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.512 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.8 m -64.91 -38.63 91.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.595 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.44 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.36 -45.36 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.16 90.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.565 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.533 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.773 0.321 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.32 -19.88 55.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -64.78 -38.0 89.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.608 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.698 0.285 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.74 -49.74 76.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.134 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.608 ' N ' ' O ' ' A' ' 14' ' ' ALA . 96.6 m . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.431 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.754 HD13 HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.842 0.354 . . . . 0.0 110.645 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.526 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 90.3 t80 -61.09 -44.6 97.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.662 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 31' ' ' VAL . 95.8 m -60.92 -46.34 91.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.318 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.21 -42.5 94.24 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.754 HG23 HD13 ' A' ' 25' ' ' ILE . 30.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.29 . . . . 0.0 110.83 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 27' ' ' THR . 27.3 t . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.797 0.332 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.653 HG13 ' HE3' ' A' ' 36' ' ' LYS . 23.8 t -63.44 -45.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 29' ' ' VAL . 26.8 m . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.092 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 35' ' ' LEU . 48.9 tp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.653 ' HE3' HG13 ' A' ' 32' ' ' VAL . 97.8 mttt -62.02 -39.63 92.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -120.04 -83.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.13 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.631 ' SG ' ' O ' ' A' ' 38' ' ' CYS . 1.5 p . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.748 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.534 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 50.2 Cg_exo . . . . . 0 N--CA 1.49 1.298 0 CA-C-O 120.872 0.28 . . . . 0.0 112.285 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.7 t -61.58 -47.56 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.316 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -62.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.105 0.478 . . . . 0.0 110.508 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -39.83 -48.27 2.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.497 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.534 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 51.5 t -64.09 -44.96 97.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.58 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.576 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.08 -37.94 89.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.533 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.607 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.805 0.336 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -64.4 -37.9 89.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.71 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.58 98.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.607 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.609 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.468 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.637 0.256 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.8 83.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.143 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' ALA . 85.4 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.723 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.956 0.408 . . . . 0.0 110.548 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' O ' HG12 ' A' ' 29' ' ' VAL . 87.1 t80 -60.5 -46.06 91.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.443 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.693 ' O ' HG23 ' A' ' 31' ' ' VAL . 52.6 p -66.79 -33.37 75.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.489 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 1.025 ' O ' HG13 ' A' ' 32' ' ' VAL . . . -65.16 -45.65 90.8 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.945 ' O ' HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.798 0.332 . . . . 0.0 110.652 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.088 ' O ' HD23 ' A' ' 35' ' ' LEU . 24.3 t . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.665 0.269 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.025 HG13 ' O ' ' A' ' 28' ' ' GLY . 5.0 m -65.75 -47.83 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.945 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.1 p . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.088 HD23 ' O ' ' A' ' 31' ' ' VAL . 3.7 mm? . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.655 ' C ' ' CG ' ' A' ' 37' ' ' HIS . 75.7 mmtt -65.18 -44.59 87.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.571 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.655 ' CG ' ' C ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER 165.39 86.07 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.872 179.028 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.592 ' O ' HG23 ' A' ' 7' ' ' VAL . 28.6 Cg_endo . . . . . 0 N--CA 1.485 1.002 0 CA-C-O 120.805 0.252 . . . . 0.0 112.126 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.99 -45.34 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.2 m -64.38 -42.42 96.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.13 95.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.545 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 3' ' ' PRO . 54.6 t -64.14 -45.17 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.575 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -64.28 -37.61 88.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.596 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.534 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.813 0.339 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -64.75 -37.95 89.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.498 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.76 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.598 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.22 0 CA-C-O 120.715 0.293 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.13 89.51 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.681 -178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.598 ' N ' ' O ' ' A' ' 14' ' ' ALA . 38.8 m . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.343 . . . . 0.0 110.379 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.677 HG23 ' H ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 CA--C 1.52 -0.208 0 CA-C-O 121.124 0.488 . . . . 0.0 110.806 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.677 ' H ' HG23 ' A' ' 25' ' ' ILE . 71.7 t80 -61.71 -43.72 98.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.334 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 31' ' ' VAL . 82.3 m -60.83 -46.1 91.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.396 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.423 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -66.0 -42.4 94.73 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 33' ' ' VAL . 25.5 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.298 . . . . 0.0 110.979 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 27' ' ' THR . 35.4 t . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.865 0.365 . . . . 0.0 110.666 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.889 HG13 ' HE3' ' A' ' 36' ' ' LYS . 2.1 t -63.48 -45.43 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 29' ' ' VAL . 29.1 m . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.1 tp . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.807 0.337 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.889 ' HE3' HG13 ' A' ' 32' ' ' VAL . 97.9 mttt -62.81 -37.85 88.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.333 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -118.19 -56.94 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.985 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.551 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.9 p . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.975 -1.012 . . . . 0.0 111.029 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 N--CA 1.489 1.245 0 CA-C-O 120.805 0.252 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.7 t -63.66 -46.08 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.632 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.3 m -63.8 -37.09 86.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.537 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.42 91.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.745 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.08 -44.55 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.639 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.49 -34.79 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.49 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.467 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.85 0.357 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.26 -34.24 23.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.667 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 -27.23 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.593 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.749 0.309 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.97 -47.65 83.88 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.146 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 93.4 m . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.975 HD12 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 121.371 0.605 . . . . 0.0 110.765 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -55.46 -42.78 74.75 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.431 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.703 ' O ' HG23 ' A' ' 31' ' ' VAL . 97.0 m -58.34 -45.2 88.58 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.451 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.96 -43.74 93.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.774 HG23 HD11 ' A' ' 25' ' ' ILE . 23.8 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.776 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 27' ' ' THR . 39.3 t . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.809 0.338 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.57 ' CG1' ' HG3' ' A' ' 36' ' ' LYS . 21.9 t -63.76 -44.25 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 29' ' ' VAL . 16.1 m . . . . . 0 C--N 1.323 -0.582 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.135 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' A' ' 35' ' ' LEU . 41.4 tp . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.697 0.284 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.57 ' HG3' ' CG1' ' A' ' 32' ' ' VAL . 73.4 mmtt -63.74 -39.27 93.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -113.54 -60.11 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.592 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.9 p . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.019 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.405 ' O ' HG23 ' A' ' 7' ' ' VAL . 47.9 Cg_exo . . . . . 0 N--CA 1.496 1.63 0 CA-C-O 120.814 0.256 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.3 t -63.56 -45.99 96.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.661 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.0 m -65.83 -39.68 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.552 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.91 97.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.68 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 3' ' ' PRO . 64.9 t -62.97 -44.89 99.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.74 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.88 92.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.615 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.784 0.326 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.0 85.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.651 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.6 93.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.692 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.617 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.731 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 121.107 0.48 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.34 73.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.812 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.617 ' N ' ' O ' ' A' ' 14' ' ' ALA . 92.5 m . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.791 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.46 0.029 0 CA-C-O 120.75 0.31 . . . . 0.0 110.786 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.427 ' N ' HG23 ' A' ' 25' ' ' ILE . 20.8 t80 -60.03 -33.05 71.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.454 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.6 m -62.45 -46.03 90.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.46 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.823 ' O ' HG12 ' A' ' 32' ' ' VAL . . . -65.56 -42.61 95.52 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.795 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.4 t . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 110.482 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 27' ' ' THR . 42.4 t . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.812 0.339 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.823 HG12 ' O ' ' A' ' 28' ' ' GLY . 8.4 p -63.21 -46.13 96.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.741 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.795 HG12 ' O ' ' A' ' 29' ' ' VAL . 2.2 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 14.5 tp . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.994 0.426 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -94.24 -47.67 6.53 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.211 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -103.05 -24.56 13.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.47 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.2 m . . . . . 0 C--N 1.32 -0.686 0 CA-C-O 117.861 -1.066 . . . . 0.0 110.638 179.819 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.546 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 36.6 Cg_endo . . . . . 0 N--CA 1.479 0.626 0 CA-C-O 120.651 0.188 . . . . 0.0 112.258 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.74 -49.45 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.796 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 11.1 p -83.95 -43.05 15.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.589 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . -57.64 -48.23 80.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.511 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.546 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 74.7 t -64.83 -44.99 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.451 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.9 99.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.496 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.758 0.313 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.36 -39.34 93.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.533 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.36 68.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.771 0.32 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.94 78.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.008 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.621 ' N ' ' O ' ' A' ' 14' ' ' ALA . 93.1 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.568 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.77 HG23 ' H ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.847 0.355 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.77 ' H ' HG23 ' A' ' 25' ' ' ILE . 89.8 t80 -58.75 -44.18 90.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.395 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.815 ' C ' HG13 ' A' ' 31' ' ' VAL . 82.7 p -60.43 -97.79 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.305 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.29 -55.07 0.01 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.562 ' HB ' ' O ' ' A' ' 25' ' ' ILE . 13.4 t . . . . . 0 C--N 1.333 -0.151 0 CA-C-O 120.889 0.376 . . . . 0.0 111.597 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.815 HG13 ' C ' ' A' ' 27' ' ' THR . 2.2 m . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.646 0.26 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.615 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 2.1 t -63.23 -47.44 92.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 29' ' ' VAL . 20.5 m . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.349 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.2 tp . . . . . 0 N--CA 1.451 -0.416 0 CA-C-O 120.546 0.212 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.615 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 54.4 tptt -64.24 -35.44 80.84 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.759 0.314 . . . . 0.0 110.618 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' VAL . 99.8 m-70 -120.89 -60.09 1.68 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.461 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.637 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.6 p . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.778 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo . . . . . 0 N--CA 1.482 0.822 0 CA-C-O 120.739 0.225 . . . . 0.0 112.099 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.3 t -64.51 -47.49 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.1 m -69.07 -42.94 75.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.638 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.82 84.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.654 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.22 -45.79 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-O 120.894 0.378 . . . . 0.0 110.732 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.02 88.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.527 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 179.902 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.814 0.34 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.15 -35.71 81.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.558 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.44 -38.75 85.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.517 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.571 ' O ' ' N ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.796 0.331 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -82.81 -72.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.878 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' H ' ' HA ' ' A' ' 14' ' ' ALA . 14.2 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.231 0.538 . . . . 0.0 110.456 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.713 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.967 0.413 . . . . 0.0 110.682 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.525 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 87.8 t80 -61.39 -44.92 96.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 31' ' ' VAL . 19.7 m -59.68 -46.73 88.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.447 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.43 -41.81 96.23 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.666 HG23 HD13 ' A' ' 25' ' ' ILE . 24.3 t . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.755 0.312 . . . . 0.0 110.733 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 27' ' ' THR . 24.5 t . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.778 0.323 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.59 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 2.1 t -62.39 -45.86 97.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 29' ' ' VAL . 16.7 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.326 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 35' ' ' LEU . 37.6 tp . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.59 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 61.4 tttp -63.19 -33.7 76.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.816 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' VAL . 99.4 m-70 -124.36 -60.83 1.38 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.339 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.638 ' SG ' ' O ' ' A' ' 38' ' ' CYS . 1.6 p . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.818 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.733 ' O ' HG23 ' A' ' 7' ' ' VAL . 33.3 Cg_endo . . . . . 0 N--CA 1.483 0.891 0 CA-C-O 120.768 0.237 . . . . 0.0 112.147 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.05 -47.28 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.53 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.7 m -68.57 -41.62 79.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.71 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.58 91.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 3' ' ' PRO . 54.3 t -63.77 -44.84 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.667 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.7 88.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.766 0.317 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.48 94.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.58 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.96 -37.32 87.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.55 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.696 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.79 0.329 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -76.54 -72.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.128 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.484 ' H ' ' HA ' ' A' ' 14' ' ' ALA . 15.5 p . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 121.113 0.482 . . . . 0.0 110.472 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.877 HG23 ' H ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.845 0.355 . . . . 0.0 110.974 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.877 ' H ' HG23 ' A' ' 25' ' ' ILE . 87.7 t80 -60.16 -45.73 92.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.52 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.428 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 98.2 m -62.59 -45.61 92.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.574 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -65.28 -46.12 88.23 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.73 ' O ' HG13 ' A' ' 33' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.508 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.862 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.894 0.378 . . . . 0.0 110.645 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.03 HG12 ' HE2' ' A' ' 36' ' ' LYS . 54.3 t -62.95 -46.15 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.715 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 29' ' ' VAL . 29.2 m . . . . . 0 C--N 1.325 -0.461 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.943 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.862 HD23 ' O ' ' A' ' 31' ' ' VAL . 3.1 mm? . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.743 0.306 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 1.03 ' HE2' HG12 ' A' ' 32' ' ' VAL . 51.9 mtmt -65.11 -40.2 94.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.703 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.518 ' O ' ' O ' ' A' ' 38' ' ' CYS . 78.2 m-70 -117.58 -88.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.646 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.6 p . . . . . 0 C--O 1.218 -0.574 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.765 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.457 ' O ' HG23 ' A' ' 7' ' ' VAL . 31.7 Cg_endo . . . . . 0 N--CA 1.484 0.912 0 CA-C-O 120.77 0.238 . . . . 0.0 112.25 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.87 -47.48 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.595 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 90.9 m -67.02 -40.27 87.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.76 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.6 97.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.654 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 3' ' ' PRO . 51.1 t -65.18 -44.9 95.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.679 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.01 92.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.585 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.728 0.299 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.35 -39.04 93.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.98 86.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.625 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.622 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.436 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.893 0.378 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -49.97 74.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.622 ' N ' ' O ' ' A' ' 14' ' ' ALA . 82.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.628 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.894 0.378 . . . . 0.0 110.599 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.527 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 89.8 t80 -61.12 -44.48 97.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.378 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.656 ' O ' HG23 ' A' ' 31' ' ' VAL . 77.9 m -59.82 -48.14 82.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.515 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.526 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -65.17 -41.26 97.03 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.95 ' O ' HG12 ' A' ' 33' ' ' VAL . 29.6 t . . . . . 0 C--N 1.332 -0.183 0 CA-C-O 120.73 0.3 . . . . 0.0 110.598 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 27' ' ' THR . 42.8 t . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 110.744 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.61 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -61.75 -46.77 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.662 -179.467 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.95 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.4 p . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.426 ' HA ' HD12 ' A' ' 35' ' ' LEU . 39.5 tp . . . . . 0 N--CA 1.457 -0.079 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.625 ' C ' ' CG ' ' A' ' 37' ' ' HIS . 98.7 mttt -80.41 -43.1 21.55 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.021 0.439 . . . . 0.0 110.608 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.663 ' CD2' ' N ' ' A' ' 37' ' ' HIS . 0.0 OUTLIER 161.94 107.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.008 -179.513 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.0 m . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.354 -179.393 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.58 ' O ' HG23 ' A' ' 7' ' ' VAL . 43.9 Cg_exo . . . . . 0 N--CA 1.485 0.994 0 CA-C-O 120.858 0.274 . . . . 0.0 112.284 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.43 -43.48 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.254 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 m -70.06 -41.19 74.48 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.81 -41.02 97.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.609 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 3' ' ' PRO . 52.4 t -63.09 -47.38 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.64 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.35 -40.42 89.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.656 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.527 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.785 0.326 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.71 -17.02 30.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -63.95 -47.49 80.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.615 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.631 ' O ' ' N ' ' A' ' 18' ' ' CYS . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.481 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.738 0.304 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.6 78.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.02 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.631 ' N ' ' O ' ' A' ' 14' ' ' ALA . 23.2 m . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.46 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.773 HD13 HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.844 0.354 . . . . 0.0 110.671 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 86.6 t80 -62.05 -44.94 95.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.521 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.1 m -61.66 -46.54 89.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.31 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.42 -37.75 94.15 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.901 ' O ' HG12 ' A' ' 33' ' ' VAL . 30.3 t . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.623 0.249 . . . . 0.0 110.721 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 27' ' ' THR . 53.3 t . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.69 0.281 . . . . 0.0 110.682 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.587 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 49.7 t -64.59 -49.95 78.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.901 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.3 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.405 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 CA--C 1.523 -0.091 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 67.2 mmtt -62.46 -39.13 92.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.955 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -131.06 -54.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.306 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.679 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.222 -0.381 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.966 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.651 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.651 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.597 ' O ' HG23 ' A' ' 7' ' ' VAL . 50.3 Cg_exo -54.17 -37.33 87.47 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.846 2.364 . . . . 0.0 112.491 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.523 HG12 ' N ' ' A' ' 5' ' ' CYS . 11.6 t -61.31 -72.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.995 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 16.0 p -65.36 -44.42 87.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.606 ' CB ' ' O ' ' A' ' 2' ' ' DBU . . . -54.55 -45.82 73.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.529 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 3' ' ' PRO . 39.6 t -63.85 -44.35 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.589 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.8 88.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.88 89.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.531 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.44 91.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.592 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.57 91.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.24 -47.1 87.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.635 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.74 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.68 -35.17 79.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.566 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.74 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 20' ' ' TRP . . . -90.48 -48.64 6.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.925 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -60.46 -50.63 72.79 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.127 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.609 ' N ' ' O ' ' A' ' 14' ' ' ALA . 91.1 m -62.96 -42.22 99.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.296 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.32 -24.89 67.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.539 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.0 t90 -61.26 -50.62 72.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.997 0.427 . . . . 0.0 110.744 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.683 HG12 ' H ' ' A' ' 25' ' ' ILE . 1.3 t -72.83 76.22 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.334 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.01 7.19 64.54 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' O ' HG22 ' A' ' 27' ' ' THR . . . -143.9 -40.19 0.06 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.582 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . -64.28 -39.6 97.17 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -66.91 -42.36 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.68 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.527 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 80.0 t80 -61.18 -46.24 91.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.646 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.582 ' CG2' ' O ' ' A' ' 24' ' ' GLY . 2.5 t -62.59 -45.4 93.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.434 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' N ' HG23 ' A' ' 27' ' ' THR . . . -65.08 -43.2 96.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.947 ' O ' HG13 ' A' ' 33' ' ' VAL . 2.3 t -63.8 -46.24 94.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.553 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.549 ' C ' HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 27' ' ' THR . 41.9 t -64.72 -45.75 94.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.702 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.32 -46.27 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.029 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.947 HG13 ' O ' ' A' ' 29' ' ' VAL . 21.6 m -63.88 -45.01 98.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.692 ' C ' ' HB2' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 34' ' ' DAL . 42.4 tp -29.26 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.751 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.604 ' N ' ' O ' ' A' ' 34' ' ' DAL . 0.9 OUTLIER -66.12 -47.22 74.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.622 0.249 . . . . 0.0 111.299 179.573 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.603 ' N ' ' O ' ' A' ' 34' ' ' DAL . 89.4 m-70 -117.74 -30.31 5.48 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 111.529 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.692 ' HB2' ' C ' ' A' ' 34' ' ' DAL . 53.2 m . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.634 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.62 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.62 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.577 ' O ' HG23 ' A' ' 7' ' ' VAL . 48.4 Cg_exo -55.14 -38.64 93.43 Favored 'Trans proline' 0 C--N 1.303 -1.837 0 C-N-CA 123.068 2.512 . . . . 0.0 112.058 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 1' ' ' ABA . 53.3 t -63.52 -47.58 90.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.557 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 83.8 m -69.35 -42.15 75.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.715 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.09 97.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.646 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 3' ' ' PRO . 51.3 t -66.2 -44.31 91.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.765 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.66 -39.01 93.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.651 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -64.18 -37.25 86.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.05 97.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.575 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -65.85 -38.19 88.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.625 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -63.12 -40.31 97.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.674 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.718 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -64.49 -36.24 83.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.7 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.718 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 20' ' ' TRP . . . -91.88 -50.14 5.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.932 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -60.84 -49.07 78.97 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.61 ' N ' ' O ' ' A' ' 14' ' ' ALA . 66.1 m -61.14 -38.34 86.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.91 -65.9 1.57 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.528 ' N ' ' O ' ' A' ' 16' ' ' ALA . 12.8 m95 -58.77 -39.06 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.574 0.226 . . . . 0.0 110.918 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.747 ' O ' HG22 ' A' ' 21' ' ' VAL . 12.6 p 36.93 37.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.728 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.41 6.21 1.86 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.594 -1.003 . . . . 0.0 110.594 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.567 ' O ' ' OG1' ' A' ' 27' ' ' THR . . . -132.29 23.89 4.03 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.546 ' O ' HG22 ' A' ' 25' ' ' ILE . . . 69.7 4.01 44.56 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.569 ' CG2' ' N ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER 69.83 -49.07 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 110.766 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -64.92 -31.77 73.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.41 -179.637 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.633 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.4 m -63.26 -49.86 72.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.596 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.01 -45.57 62.3 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.554 ' O ' HG13 ' A' ' 33' ' ' VAL . 55.5 t -65.76 -43.04 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-O 120.784 0.326 . . . . 0.0 110.433 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.568 ' O ' ' CG2' ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 27' ' ' THR . 25.0 t -65.25 -44.81 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.768 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.561 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -62.27 -44.28 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 -179.75 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' A' ' 30' ' ' DBU . 27.8 m -64.8 -43.1 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.681 ' C ' ' HB2' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 35' ' ' LEU . 34.5 tp -49.0 -11.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.315 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.586 ' H ' ' C ' ' A' ' 34' ' ' DAL . 75.3 mmtt -101.72 -53.53 2.95 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.152 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -101.54 -14.57 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.465 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.681 ' HB2' ' C ' ' A' ' 34' ' ' DAL . 79.3 m . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.448 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.463 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.505 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.52 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 50.2 Cg_exo -55.28 -41.52 77.49 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.131 2.554 . . . . 0.0 112.222 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 7' ' ' VAL . 75.9 t -63.32 -46.97 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.479 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.7 m -69.73 -43.15 72.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.637 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.84 92.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.003 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 4' ' ' VAL . 0.7 OUTLIER -65.28 -42.91 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.489 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.524 ' N ' ' CG1' ' A' ' 7' ' ' VAL . . . -64.1 -37.85 88.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.65 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.12 89.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.08 -37.46 87.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.556 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.05 89.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.64 84.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.759 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.648 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.01 -46.55 87.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.648 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.66 ' O ' ' CG ' ' A' ' 20' ' ' TRP . . . -83.44 -51.14 7.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.245 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 1.056 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -77.1 -73.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.146 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.654 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 13.2 p -58.4 -46.34 86.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.145 0.497 . . . . 0.0 110.504 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.654 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -55.62 -43.87 86.09 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.66 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 9.6 m0 -65.56 -46.75 78.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.895 0.378 . . . . 0.0 110.548 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.056 HG12 ' O ' ' A' ' 17' ' ' ALA . 0.8 OUTLIER -78.3 -80.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.655 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.842 ' H ' HG13 ' A' ' 21' ' ' VAL . . . 42.28 15.65 0.02 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 21' ' ' VAL . . . 71.92 -1.78 29.54 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.42 -35.55 92.1 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.701 HG23 ' H ' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -59.51 -55.76 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.991 0.425 . . . . 0.0 111.108 -179.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.701 ' H ' HG23 ' A' ' 25' ' ' ILE . 88.6 t80 -61.68 -44.86 96.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.507 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.445 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 20.8 m -60.65 -47.54 85.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.412 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -64.36 -40.11 97.54 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.94 ' O ' HG12 ' A' ' 33' ' ' VAL . 41.2 t -63.98 -45.81 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 120.749 0.309 . . . . 0.0 110.62 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.566 ' O ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.3 t -66.7 -46.05 86.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.52 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 55.9 t -63.01 -47.78 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.106 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.94 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.3 p -60.76 -57.35 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 120.976 0.417 . . . . 0.0 110.458 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.637 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 35.4 tp -50.79 -14.51 0.21 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.169 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 75.7 mmtt -102.1 -51.74 3.32 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.802 0.334 . . . . 0.0 111.661 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -99.53 -16.47 18.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 111.493 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.637 ' N ' ' O ' ' A' ' 34' ' ' DAL . 75.9 m . . . . . 0 C--N 1.324 -0.539 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.639 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.557 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.557 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 50.3 Cg_exo -54.84 -40.93 82.77 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.877 2.384 . . . . 0.0 112.115 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.11 -47.66 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 97.7 m -69.49 -42.25 75.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.765 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.38 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.614 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 3' ' ' PRO . 55.4 t -65.36 -44.15 94.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.675 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.21 -37.02 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.593 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.71 95.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.12 -36.88 85.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.507 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -62.13 -41.03 97.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.558 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.8 80.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.654 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.69 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -66.84 -38.78 87.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.568 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.69 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.645 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -91.88 -57.54 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.786 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.83 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -62.09 -48.1 81.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 81.2 m -59.59 -35.71 74.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.701 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.1 -47.77 6.86 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.645 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 50.5 m95 -65.44 -49.76 67.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.679 0.276 . . . . 0.0 110.85 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 17' ' ' ALA . 3.0 m -28.71 89.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.684 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -89.15 -23.93 33.31 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.41 -47.8 1.78 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.05 -41.86 99.73 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -65.86 -41.84 90.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 110.589 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.521 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -65.44 -28.96 69.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.623 179.788 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.483 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 19.8 m -63.26 -48.74 76.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.565 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.87 -45.52 73.56 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 33' ' ' VAL . 30.4 t -65.14 -44.45 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-O 120.806 0.336 . . . . 0.0 110.666 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.611 ' C ' HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.483 ' HB ' ' O ' ' A' ' 27' ' ' THR . 2.3 t -63.92 -46.37 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.529 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.8 t -64.0 -44.86 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.611 HG22 ' C ' ' A' ' 30' ' ' DBU . 21.7 m -61.39 -41.56 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.662 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.649 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -61.22 -42.45 98.62 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.488 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 73.5 mmtt -63.79 -37.63 88.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.979 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' VAL . 95.8 m-70 -114.61 -63.2 1.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.321 -178.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.662 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.8 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.956 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.544 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.544 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 41.9 Cg_exo -55.63 -40.09 87.34 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.814 2.343 . . . . 0.0 112.121 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.4 -47.57 92.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.621 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 68.4 m -68.39 -39.08 81.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.17 91.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 3' ' ' PRO . 53.2 t -63.76 -45.19 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.626 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.07 97.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.38 87.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.85 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.53 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.91 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.29 -36.05 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.631 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.699 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -61.36 -38.27 86.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.699 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' O ' ' HD1' ' A' ' 20' ' ' TRP . . . -92.09 -52.65 4.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.624 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.1 -50.6 72.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.643 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.626 ' N ' ' O ' ' A' ' 14' ' ' ALA . 98.9 m -60.44 -41.29 93.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.88 -50.03 63.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.532 ' O ' ' C ' ' A' ' 21' ' ' VAL . 22.2 m95 -67.35 -38.5 84.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.324 . . . . 0.0 110.576 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.091 HG23 ' CG2' ' A' ' 25' ' ' ILE . 12.3 p 27.56 80.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.51 10.73 21.75 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.954 ' O ' HG23 ' A' ' 27' ' ' THR . . . 105.17 -21.44 35.57 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.71 -43.91 83.06 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.091 ' CG2' HG23 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -66.77 -48.54 79.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 110.764 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.507 ' N ' HG23 ' A' ' 25' ' ' ILE . 65.5 t80 -59.95 -46.12 90.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.567 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.954 HG23 ' O ' ' A' ' 23' ' ' GLY . 74.2 p -58.81 -46.48 87.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.41 92.99 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.0 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.4 t -65.07 -45.29 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.57 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.691 ' O ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.557 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.2 t -69.08 -46.27 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.585 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.513 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 45.4 t -64.32 -47.93 87.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.672 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.0 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.2 p -50.99 -68.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.763 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 13.2 tp -59.55 -24.02 63.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.538 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.89 -46.46 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -103.4 -24.13 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.748 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.763 ' N ' ' O ' ' A' ' 34' ' ' DAL . 56.2 m . . . . . 0 C--O 1.218 -0.569 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.763 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.83 ' O ' HG22 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.435 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.435 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 48.1 Cg_exo -54.55 -49.59 16.3 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.869 2.379 . . . . 0.0 112.523 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 1' ' ' ABA . 15.6 m -64.28 -38.92 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.6 m -67.06 -41.57 86.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.591 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.14 -46.91 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -64.52 -41.78 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.517 ' N ' ' CG1' ' A' ' 7' ' ' VAL . . . -63.83 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.552 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.39 90.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.476 ' O ' ' HB1' ' A' ' 15' ' ' DHA . . . -63.0 -39.31 94.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.568 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.55 87.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.91 -66.25 0.58 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.702 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.64 -38.94 93.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.702 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.641 ' O ' ' CB ' ' A' ' 20' ' ' TRP . . . -88.05 -43.54 11.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.578 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.676 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -74.58 -73.34 0.24 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.651 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 16.3 p -63.75 -48.93 75.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.733 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.651 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -56.14 -57.29 19.85 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.641 ' CB ' ' O ' ' A' ' 16' ' ' ALA . 10.6 t-105 -64.83 -45.09 87.64 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.716 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.882 ' O ' HG22 ' A' ' 25' ' ' ILE . 54.4 t -61.11 -45.05 99.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.591 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.07 -16.34 0.05 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . -131.89 -23.42 0.87 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.59 -35.98 91.85 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.882 HG22 ' O ' ' A' ' 21' ' ' VAL . 0.6 OUTLIER -60.75 -68.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.793 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.864 ' H ' HG23 ' A' ' 25' ' ' ILE . 84.0 t80 -60.07 -45.55 92.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.441 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.549 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 97.0 m -61.26 -48.13 82.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.553 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -66.66 -41.94 93.6 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.761 ' O ' HG13 ' A' ' 33' ' ' VAL . 30.5 t -65.48 -44.33 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-O 120.773 0.32 . . . . 0.0 110.74 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.574 ' C ' HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 27' ' ' THR . 40.8 t -64.5 -44.79 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.613 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 28' ' ' GLY . 41.6 t -62.55 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.725 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 29' ' ' VAL . 35.3 m -63.62 -44.12 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.689 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.469 ' HA ' HD12 ' A' ' 35' ' ' LEU . 14.1 tp -54.18 -15.37 1.48 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.235 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' N ' ' C ' ' A' ' 34' ' ' DAL . 75.8 mmtt -102.15 -51.84 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.116 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -98.63 -19.33 17.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.689 ' N ' ' O ' ' A' ' 34' ' ' DAL . 74.9 m . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.609 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.545 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.545 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 50.0 Cg_exo -55.0 -41.71 76.27 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 123.05 2.5 . . . . 0.0 112.185 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.12 -45.71 95.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.642 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.5 m -65.54 -39.27 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.43 94.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.704 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 3' ' ' PRO . 55.7 t -63.71 -44.75 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.567 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.79 92.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.531 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.01 89.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.519 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.12 93.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.645 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.44 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.94 -37.91 89.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.449 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.727 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.15 -36.59 84.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.727 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.633 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -90.56 -53.13 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.057 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.33 -48.85 80.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.107 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 14' ' ' ALA . 66.7 m -60.63 -38.07 83.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.33 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.39 -40.1 98.18 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.633 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 96.8 m95 -62.32 -40.82 97.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.732 0.301 . . . . 0.0 110.748 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.733 HG23 ' N ' ' A' ' 25' ' ' ILE . 8.5 p 30.67 42.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.682 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -57.78 -1.62 0.63 Allowed Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.591 -1.003 . . . . 0.0 110.591 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 24' ' ' GLY . . . -165.43 52.72 0.27 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . 54.7 116.05 0.01 OUTLIER Glycine 0 CA--C 1.521 0.451 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.81 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -36.79 -27.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.025 0.44 . . . . 0.0 110.097 -179.729 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' N ' ' O ' ' A' ' 24' ' ' GLY . 91.9 t80 -58.76 -44.36 90.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.617 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.553 ' HB ' ' O ' ' A' ' 23' ' ' GLY . 96.5 m -59.98 -45.61 92.16 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.237 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.552 ' O ' HG12 ' A' ' 32' ' ' VAL . . . -64.86 -39.02 96.25 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.79 HG23 ' CD1' ' A' ' 25' ' ' ILE . 38.5 t -64.61 -44.55 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.809 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.578 ' C ' HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 27' ' ' THR . 2.3 t -63.76 -46.56 94.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.596 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 33' ' ' VAL . 12.4 p -63.58 -45.04 98.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.578 HG22 ' C ' ' A' ' 30' ' ' DBU . 29.5 m -63.44 -44.87 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.637 ' C ' ' HB2' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -49.54 -15.85 0.18 Allowed 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.449 179.535 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.529 ' N ' ' C ' ' A' ' 34' ' ' DAL . 68.9 mttm -100.61 -52.7 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.034 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -99.29 -17.25 18.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.538 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.637 ' HB2' ' C ' ' A' ' 34' ' ' DAL . 85.7 m . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.59 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.738 ' O ' HG22 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.446 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.446 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 52.5 Cg_exo -54.82 -49.09 17.89 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 123.01 2.474 . . . . 0.0 112.637 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 1' ' ' ABA . 8.2 m -64.59 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.912 0.387 . . . . 0.0 110.457 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.7 m -64.46 -41.3 96.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.638 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.19 93.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 3' ' ' PRO . 58.0 t -62.91 -45.6 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.72 90.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.652 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.79 88.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.38 90.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.596 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.29 93.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.653 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.97 89.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.729 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.54 -36.85 85.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.532 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.729 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.561 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -90.92 -54.66 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.781 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.91 -49.43 77.84 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.039 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.617 ' N ' ' O ' ' A' ' 14' ' ' ALA . 91.7 m -61.67 -40.09 93.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.421 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.7 -48.53 76.34 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.561 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 95.0 m95 -66.1 -43.7 86.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.888 0.375 . . . . 0.0 110.803 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.799 HG12 ' H ' ' A' ' 23' ' ' GLY . 60.1 t -82.74 130.44 35.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.428 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.52 24.11 1.2 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.799 ' H ' HG12 ' A' ' 21' ' ' VAL . . . 88.27 -3.01 85.54 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.11 -39.62 94.71 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.708 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -66.18 -41.81 90.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.554 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' O ' HG12 ' A' ' 29' ' ' VAL . 81.5 t80 -60.51 -45.8 92.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.522 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.692 ' O ' HG23 ' A' ' 31' ' ' VAL . 51.1 p -66.32 -33.15 75.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.461 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -65.93 -43.41 93.75 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.944 ' O ' HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -64.5 -43.2 96.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.814 0.34 . . . . 0.0 110.69 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.671 ' O ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.728 ' O ' HD23 ' A' ' 35' ' ' LEU . 45.8 t -68.62 -46.25 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.774 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 54.5 t -64.51 -48.51 84.72 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.899 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.944 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.1 p -49.21 -69.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.017 0.437 . . . . 0.0 110.412 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.575 ' O ' ' O ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 31' ' ' VAL . 3.4 mm? -60.99 -38.02 84.54 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 67.7 mmtt -61.56 -38.93 89.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.416 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -127.19 -65.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.534 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.649 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.873 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.47 ' HA ' ' HB3' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.635 ' HB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.635 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 36.4 Cg_endo -66.16 -33.48 40.06 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.016 2.477 . . . . 0.0 112.418 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.1 -48.95 83.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.963 0.411 . . . . 0.0 110.729 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.608 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 11.6 p -83.78 -43.66 15.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.623 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.608 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . -57.15 -47.08 82.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.47 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.536 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 66.2 t -65.22 -45.98 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.641 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.03 97.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.651 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.61 88.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.96 95.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.565 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.16 93.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.608 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.91 89.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.725 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.729 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.35 -37.5 87.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.729 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.622 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -91.28 -50.76 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.756 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.63 72.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.783 ' O ' HG23 ' A' ' 21' ' ' VAL . 97.3 m -60.95 -37.6 82.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.427 . . . . 0.0 110.569 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.6 -36.67 76.65 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.644 ' O ' ' C ' ' A' ' 21' ' ' VAL . 16.6 m0 -75.24 -51.55 13.04 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.037 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 18' ' ' CYS . 2.1 t 2.42 95.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.23 0.072 0 O-C-N 123.545 0.528 . . . . 0.0 110.722 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -89.04 10.41 73.01 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.14 -11.88 51.98 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.17 -38.76 96.39 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.831 HD13 HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -65.85 -41.81 90.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.947 0.403 . . . . 0.0 110.603 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.522 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 87.7 t80 -60.61 -44.41 96.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.496 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 94.1 m -57.82 -48.75 78.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.437 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.559 ' O ' HG12 ' A' ' 31' ' ' VAL . . . -66.06 -37.06 92.76 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.831 HG23 HD13 ' A' ' 25' ' ' ILE . 62.6 t -66.49 -43.12 91.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 110.653 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.585 ' O ' ' CG2' ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.583 ' CG1' ' N ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -61.77 -46.06 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.55 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.954 HG22 ' HE3' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -62.19 -46.18 97.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.639 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.587 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 21.0 m -63.42 -42.21 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.289 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.679 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' A' ' 35' ' ' LEU . 37.4 tp -59.79 -40.49 88.46 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.521 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.954 ' HE3' HG22 ' A' ' 32' ' ' VAL . 97.5 mttt -61.98 -37.89 86.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.83 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -120.06 -61.03 1.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.392 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.679 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.4 p . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.119 -0.944 . . . . 0.0 110.974 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.51 ' HG1' ' HB3' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.553 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 7' ' ' VAL . 53.0 Cg_exo -57.83 -33.63 97.19 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 123.073 2.515 . . . . 0.0 112.137 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 79.2 t -61.56 -47.38 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.065 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.553 ' SG ' ' N ' ' A' ' 2' ' ' DBU . 0.5 OUTLIER -79.91 -53.46 6.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.316 0.579 . . . . 0.0 110.638 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.43 -46.55 63.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.527 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 3' ' ' PRO . 78.3 t -63.82 -45.14 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.469 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.82 92.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.682 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.62 91.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.557 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.42 94.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.609 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.87 89.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.621 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.59 87.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.735 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.35 -36.19 82.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.735 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 20' ' ' TRP . . . -90.28 -49.73 6.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.942 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.83 -50.32 72.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.268 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 88.1 m -63.24 -44.13 96.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.09 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.36 -31.59 74.45 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.482 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -58.49 -51.19 70.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.982 0.42 . . . . 0.0 111.336 -179.484 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.841 HG21 ' HB ' ' A' ' 25' ' ' ILE . 37.4 t -69.2 -22.35 25.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.383 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.43 17.31 62.54 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.92 -5.77 63.92 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.59 -40.94 96.29 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.841 ' HB ' HG21 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -67.78 -42.41 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.002 0.429 . . . . 0.0 110.686 -179.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.507 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 85.2 t80 -60.79 -43.66 97.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.382 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.662 ' O ' HG23 ' A' ' 31' ' ' VAL . 19.8 m -58.9 -46.23 88.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.396 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.505 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -65.35 -42.12 96.23 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.966 ' O ' HG12 ' A' ' 33' ' ' VAL . 43.7 t -64.89 -45.0 96.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.786 0.327 . . . . 0.0 110.94 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.683 ' O ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 27' ' ' THR . 56.1 t -68.24 -45.32 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.805 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.577 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 2.3 t -62.79 -49.67 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.046 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.704 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.966 HG12 ' O ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -50.94 -70.15 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.968 0.413 . . . . 0.0 109.979 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.67 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 35' ' ' LEU . 44.5 tp -59.98 -40.92 90.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.711 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 71.0 mmtt -61.62 -39.04 89.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -117.8 -58.37 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.74 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.67 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.6 p . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.933 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.648 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.648 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 50.4 Cg_exo -55.09 -40.84 83.78 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.067 2.512 . . . . 0.0 112.123 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 1' ' ' ABA . 69.8 t -63.92 -45.98 95.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.512 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.461 ' H ' ' C ' ' A' ' 1' ' ' ABA . 18.8 m -64.91 -38.63 91.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.595 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.44 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.36 -45.36 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.16 90.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.565 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -63.85 -37.61 88.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.533 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.82 87.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.521 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.32 -19.88 55.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.577 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -64.78 -38.0 89.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.728 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -62.9 -35.45 80.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.568 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.728 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.63 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -90.51 -50.03 6.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.004 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -60.74 -49.74 76.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.134 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.866 ' O ' HG22 ' A' ' 21' ' ' VAL . 96.6 m -62.71 -40.79 98.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.431 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.11 -40.22 92.82 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.63 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 13.4 m0 -62.74 -36.32 82.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.348 . . . . 0.0 111.035 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.866 HG22 ' O ' ' A' ' 18' ' ' CYS . 3.9 m -36.78 -24.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.779 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -58.85 -1.14 0.78 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' A' ' 21' ' ' VAL . . . -158.46 -35.72 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.27 -37.27 94.28 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.754 HD13 HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -65.78 -42.62 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.354 . . . . 0.0 110.645 -179.737 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.526 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 90.3 t80 -61.09 -44.6 97.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.662 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 31' ' ' VAL . 95.8 m -60.92 -46.34 91.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.318 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.21 -42.5 94.24 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.754 HG23 HD13 ' A' ' 25' ' ' ILE . 30.2 t -64.64 -44.67 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.29 . . . . 0.0 110.83 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.598 ' C ' HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 27' ' ' THR . 27.3 t -64.16 -45.04 97.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.773 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.653 HG13 ' HE3' ' A' ' 36' ' ' LYS . 23.8 t -63.44 -45.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 29' ' ' VAL . 26.8 m -63.17 -43.01 98.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.092 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.554 ' O ' ' OXT' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 35' ' ' LEU . 48.9 tp -61.16 -42.14 98.03 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.227 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.653 ' HE3' HG13 ' A' ' 32' ' ' VAL . 97.8 mttt -62.02 -39.63 92.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -120.04 -83.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.13 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.631 ' SG ' ' O ' ' A' ' 38' ' ' CYS . 1.5 p . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.748 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.532 ' HG1' ' HB3' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.525 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.534 ' O ' ' HB ' ' A' ' 7' ' ' VAL . 50.2 Cg_exo -57.29 -33.74 96.64 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 123.102 2.535 . . . . 0.0 112.285 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 65.7 t -61.58 -47.56 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.316 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.532 ' HB3' ' HG1' ' A' ' 1' ' ' ABA . 0.5 OUTLIER -79.13 -62.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.105 0.478 . . . . 0.0 110.508 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -39.83 -48.27 2.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.497 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.534 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 51.5 t -64.09 -44.96 97.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.58 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.576 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -63.08 -37.94 89.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.533 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.83 88.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.607 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.42 91.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.508 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -64.4 -37.9 89.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.71 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.58 98.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.607 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.715 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -65.25 -36.36 83.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.468 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.715 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.62 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -90.85 -56.66 3.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.053 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.58 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -61.82 -47.8 83.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.143 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.654 ' O ' HG23 ' A' ' 21' ' ' VAL . 85.4 m -63.0 -41.08 99.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.63 -40.15 98.32 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 17.9 m0 -71.25 -74.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.716 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER 21.06 46.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.869 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.612 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -77.55 0.46 69.88 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.58 -68.55 0.95 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.06 -38.27 95.76 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.723 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -65.78 -41.99 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.956 0.408 . . . . 0.0 110.548 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' O ' HG12 ' A' ' 29' ' ' VAL . 87.1 t80 -60.5 -46.06 91.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.443 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.693 ' O ' HG23 ' A' ' 31' ' ' VAL . 52.6 p -66.79 -33.37 75.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.489 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 1.025 ' O ' HG13 ' A' ' 32' ' ' VAL . . . -65.16 -45.65 90.8 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.945 ' O ' HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -63.73 -43.28 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.798 0.332 . . . . 0.0 110.652 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.674 ' O ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.088 ' O ' HD23 ' A' ' 35' ' ' LEU . 24.3 t -66.8 -48.06 80.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.948 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.025 HG13 ' O ' ' A' ' 28' ' ' GLY . 5.0 m -65.75 -47.83 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.945 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.1 p -48.42 -69.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.645 ' HB3' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.088 HD23 ' O ' ' A' ' 31' ' ' VAL . 3.7 mm? -61.78 -42.55 99.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.698 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.655 ' C ' ' CG ' ' A' ' 37' ' ' HIS . 75.7 mmtt -65.18 -44.59 87.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.571 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.655 ' CG ' ' C ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER 165.39 86.07 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.645 ' N ' ' HB3' ' A' ' 34' ' ' DAL . 7.6 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.872 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.534 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.534 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.592 ' O ' HG23 ' A' ' 7' ' ' VAL . 28.6 Cg_endo -61.83 -29.5 82.86 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.099 2.533 . . . . 0.0 112.126 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 70.8 t -63.99 -45.34 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.455 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.2 m -64.38 -42.42 96.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.13 95.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.545 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 3' ' ' PRO . 54.6 t -64.14 -45.17 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.575 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -64.28 -37.61 88.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.596 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.74 88.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.534 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -39.52 94.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.53 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -64.75 -37.95 89.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.498 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.76 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.36 -36.85 85.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.73 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.83 -48.9 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.212 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -62.74 -46.13 89.51 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.681 -178.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.598 ' N ' ' O ' ' A' ' 14' ' ' ALA . 38.8 m -60.89 -39.39 89.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.343 . . . . 0.0 110.379 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.97 -61.74 2.21 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.596 ' O ' ' C ' ' A' ' 21' ' ' VAL . 97.1 m95 -61.46 -41.06 96.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.661 0.267 . . . . 0.0 110.659 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.828 ' O ' HG13 ' A' ' 21' ' ' VAL . 8.9 p 18.39 63.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.226 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.81 6.16 2.98 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 21' ' ' VAL . . . 99.86 -10.05 60.34 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.33 -37.7 94.85 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.764 HG21 HG23 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -61.54 -53.64 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.124 0.488 . . . . 0.0 110.806 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.677 ' H ' HG23 ' A' ' 25' ' ' ILE . 71.7 t80 -61.71 -43.72 98.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.334 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 31' ' ' VAL . 82.3 m -60.83 -46.1 91.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.396 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.423 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -66.0 -42.4 94.73 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 33' ' ' VAL . 25.5 t -65.02 -44.71 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.298 . . . . 0.0 110.979 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.598 ' C ' HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 27' ' ' THR . 35.4 t -63.59 -45.46 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.666 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.889 HG13 ' HE3' ' A' ' 36' ' ' LYS . 2.1 t -63.48 -45.43 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 29' ' ' VAL . 29.1 m -61.38 -42.71 94.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.653 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.1 tp -61.55 -42.03 98.24 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.631 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.889 ' HE3' HG13 ' A' ' 32' ' ' VAL . 97.9 mttt -62.81 -37.85 88.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.333 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -118.19 -56.94 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.985 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.653 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.9 p . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.975 -1.012 . . . . 0.0 111.029 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.638 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.638 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.506 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 50.2 Cg_exo -54.98 -40.71 84.48 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.063 2.508 . . . . 0.0 112.11 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 1' ' ' ABA . 56.7 t -63.66 -46.08 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.632 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' H ' ' C ' ' A' ' 1' ' ' ABA . 14.3 m -63.8 -37.09 86.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.537 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.42 91.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.745 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.08 -44.55 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.639 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.49 -34.79 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.49 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.47 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.467 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.45 87.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.562 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.26 -34.24 23.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.667 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 -27.23 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.603 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.716 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.43 -37.87 88.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.593 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.716 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -90.71 -58.21 2.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.918 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.739 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -61.97 -47.65 83.88 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.146 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 14' ' ' ALA . 93.4 m -62.08 -39.85 93.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.78 -41.45 99.11 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.566 ' HA ' ' CE3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -65.69 -78.54 0.05 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.063 0.458 . . . . 0.0 110.256 179.677 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -45.35 96.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.531 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -77.49 23.66 2.34 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.609 ' O ' ' O ' ' A' ' 24' ' ' GLY . . . 157.27 51.36 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.559 -1.017 . . . . 0.0 110.559 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.609 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . 50.66 111.53 0.01 OUTLIER Glycine 0 CA--C 1.522 0.489 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.975 HD12 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -34.34 -31.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.371 0.605 . . . . 0.0 110.765 -179.678 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 24' ' ' GLY . 84.7 t80 -55.46 -42.78 74.75 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.431 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.703 ' O ' HG23 ' A' ' 31' ' ' VAL . 97.0 m -58.34 -45.2 88.58 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.451 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.96 -43.74 93.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.774 HG23 HD11 ' A' ' 25' ' ' ILE . 23.8 t -64.8 -44.26 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.776 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.596 ' O ' ' CG2' ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 27' ' ' THR . 39.3 t -66.01 -44.33 92.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.76 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.57 ' CG1' ' HG3' ' A' ' 36' ' ' LYS . 21.9 t -63.76 -44.25 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.596 ' CG2' ' O ' ' A' ' 30' ' ' DBU . 16.1 m -61.35 -41.0 88.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.135 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.672 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' A' ' 35' ' ' LEU . 41.4 tp -60.63 -41.87 95.76 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.571 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.57 ' HG3' ' CG1' ' A' ' 32' ' ' VAL . 73.4 mmtt -63.74 -39.27 93.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -113.54 -60.11 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.672 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.9 p . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.019 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.66 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.66 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 47.9 Cg_exo -55.05 -40.54 85.36 Favored 'Trans proline' 0 C--N 1.302 -1.882 0 C-N-CA 122.774 2.316 . . . . 0.0 111.993 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 1' ' ' ABA . 65.3 t -63.56 -45.99 96.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.661 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' H ' ' C ' ' A' ' 1' ' ' ABA . 22.0 m -65.83 -39.68 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.552 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.91 97.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.68 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 3' ' ' PRO . 64.9 t -62.97 -44.89 99.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.74 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.88 92.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.615 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.71 88.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.97 -45.05 91.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.586 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.0 85.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.651 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.6 93.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.692 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.729 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -63.58 -36.8 85.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.731 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.729 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.537 ' O ' ' HD1' ' A' ' 20' ' ' TRP . . . -91.97 -49.93 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.77 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.34 73.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.812 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.756 ' O ' HG23 ' A' ' 21' ' ' VAL . 92.5 m -63.01 -40.86 99.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.791 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.0 -52.38 33.17 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.596 ' O ' ' C ' ' A' ' 21' ' ' VAL . 89.0 m95 -68.04 -41.49 82.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.65 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.952 HG22 HG21 ' A' ' 25' ' ' ILE . 25.3 t 22.33 72.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.56 20.47 14.33 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.69 -18.08 56.59 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.8 -41.93 99.68 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.952 HG21 HG22 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -65.15 -47.66 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.75 0.31 . . . . 0.0 110.786 179.655 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.427 ' N ' HG23 ' A' ' 25' ' ' ILE . 20.8 t80 -60.03 -33.05 71.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.454 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.6 m -62.45 -46.03 90.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.46 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.823 ' O ' HG12 ' A' ' 32' ' ' VAL . . . -65.56 -42.61 95.52 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.795 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.4 t -64.81 -44.04 96.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 110.482 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.565 ' O ' ' CG1' ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 27' ' ' THR . 42.4 t -67.46 -44.74 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.845 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.823 HG12 ' O ' ' A' ' 28' ' ' GLY . 8.4 p -63.21 -46.13 96.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.741 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.795 HG12 ' O ' ' A' ' 29' ' ' VAL . 2.2 p -59.03 -57.75 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.722 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 31' ' ' VAL . 14.5 tp -60.33 -22.35 63.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.648 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -94.24 -47.67 6.53 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.211 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -103.05 -24.56 13.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.47 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.722 ' N ' ' O ' ' A' ' 34' ' ' DAL . 40.2 m . . . . . 0 C--N 1.32 -0.686 0 CA-C-O 117.861 -1.066 . . . . 0.0 110.638 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.627 ' HB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.627 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 36.6 Cg_endo -66.34 -32.81 40.35 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 123.001 2.467 . . . . 0.0 112.258 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.74 -49.45 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.796 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 6' ' ' ALA . 11.1 p -83.95 -43.05 15.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.589 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . -57.64 -48.23 80.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.511 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.546 ' HB ' ' O ' ' A' ' 3' ' ' PRO . 74.7 t -64.83 -44.99 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.451 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.9 99.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.496 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.22 -44.81 96.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.543 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.36 -39.34 93.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.533 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.36 68.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.703 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -62.12 -37.18 84.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.703 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.609 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -91.56 -55.76 3.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.784 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.94 78.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.008 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.621 ' N ' ' O ' ' A' ' 14' ' ' ALA . 93.1 m -61.61 -40.44 94.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.568 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.14 -42.45 99.73 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 11.2 m95 -62.01 -38.72 89.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.734 0.302 . . . . 0.0 110.849 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.867 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.2 p 28.74 48.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.762 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.47 17.29 0.85 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.622 ' O ' HG23 ' A' ' 27' ' ' THR . . . 139.35 -7.34 3.12 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.518 ' HA2' ' OG1' ' A' ' 27' ' ' THR . . . -62.45 -35.26 91.46 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.77 HG23 ' H ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -53.8 -59.75 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.847 0.355 . . . . 0.0 110.875 -179.876 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.77 ' H ' HG23 ' A' ' 25' ' ' ILE . 89.8 t80 -58.75 -44.18 90.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.395 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.815 ' C ' HG13 ' A' ' 31' ' ' VAL . 82.7 p -60.43 -97.79 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.305 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 27' ' ' THR . . . -19.29 -55.07 0.01 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.562 ' HB ' ' O ' ' A' ' 25' ' ' ILE . 13.4 t -67.32 -48.53 77.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.889 0.376 . . . . 0.0 111.597 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.641 ' N ' ' O ' ' A' ' 27' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.815 HG13 ' C ' ' A' ' 27' ' ' THR . 2.2 m -63.34 -41.13 91.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.615 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 2.1 t -63.23 -47.44 92.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.606 ' CG2' ' O ' ' A' ' 30' ' ' DBU . 20.5 m -60.69 -42.73 93.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.349 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.685 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.2 -39.17 89.21 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.566 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.615 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 54.4 tptt -64.24 -35.44 80.84 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.759 0.314 . . . . 0.0 110.618 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' VAL . 99.8 m-70 -120.89 -60.09 1.68 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.461 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.685 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.6 p . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.778 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.608 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.608 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 31.1 Cg_endo -65.03 -23.97 60.54 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 C-N-CA 123.08 2.52 . . . . 0.0 112.099 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.451 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 45.3 t -64.51 -47.49 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 92.1 m -69.07 -42.94 75.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.638 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.82 84.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.654 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.22 -45.79 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-O 120.894 0.378 . . . . 0.0 110.732 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.02 88.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.527 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.98 84.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.81 97.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.539 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.15 -35.71 81.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.558 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.44 -38.75 85.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.517 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.672 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -59.72 -47.63 84.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.672 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.62 ' O ' ' CG ' ' A' ' 20' ' ' TRP . . . -86.79 -46.69 9.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.585 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -82.81 -72.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.878 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.679 ' O ' HG23 ' A' ' 21' ' ' VAL . 14.2 p -57.57 -41.95 82.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.231 0.538 . . . . 0.0 110.456 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.575 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -61.65 -41.36 99.57 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.62 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 11.8 m95 -80.48 -73.84 0.34 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.686 0.279 . . . . 0.0 110.817 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 18' ' ' CYS . 2.0 t 40.81 18.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.671 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -71.88 4.13 17.43 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.56 -64.27 0.7 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.13 -40.15 98.83 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.713 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -67.12 -42.28 88.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.967 0.413 . . . . 0.0 110.682 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.525 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 87.8 t80 -61.39 -44.92 96.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 31' ' ' VAL . 19.7 m -59.68 -46.73 88.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.447 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.43 -41.81 96.23 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.666 HG23 HD13 ' A' ' 25' ' ' ILE . 24.3 t -65.72 -44.64 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-O 120.755 0.312 . . . . 0.0 110.733 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.603 ' O ' ' CG2' ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 27' ' ' THR . 24.5 t -65.52 -45.06 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.783 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.59 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 2.1 t -62.39 -45.86 97.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.603 ' CG2' ' O ' ' A' ' 30' ' ' DBU . 16.7 m -60.71 -42.01 90.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.326 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.709 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 35' ' ' LEU . 37.6 tp -61.44 -38.94 89.01 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.151 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.59 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 61.4 tttp -63.19 -33.7 76.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.816 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' VAL . 99.4 m-70 -124.36 -60.83 1.38 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.339 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.709 ' N ' ' O ' ' A' ' 34' ' ' DAL . 1.6 p . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.818 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.573 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.573 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.733 ' O ' HG23 ' A' ' 7' ' ' VAL . 33.3 Cg_endo -64.66 -24.74 62.19 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 123.024 2.483 . . . . 0.0 112.147 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 55.6 t -63.05 -47.28 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.53 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.7 m -68.57 -41.62 79.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.71 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.58 91.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 3' ' ' PRO . 54.3 t -63.77 -44.84 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.667 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.7 88.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.26 -39.11 93.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.74 98.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.743 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.48 94.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.58 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.96 -37.32 87.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.55 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.672 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -61.68 -42.78 99.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.696 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.672 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.663 ' O ' ' CG ' ' A' ' 20' ' ' TRP . . . -87.2 -48.59 7.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.473 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -76.54 -72.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.128 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.63 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 15.5 p -60.33 -46.51 89.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.113 0.482 . . . . 0.0 110.472 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.63 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -55.18 -44.2 83.92 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.663 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 9.6 m0 -65.02 -38.53 91.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 110.58 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.3 t -102.75 89.69 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.382 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.06 10.03 70.04 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.504 ' O ' ' HB ' ' A' ' 27' ' ' THR . . . 99.75 -6.46 58.79 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.07 -35.88 92.54 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.877 HG23 ' H ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -61.37 -67.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.974 -179.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.877 ' H ' HG23 ' A' ' 25' ' ' ILE . 87.7 t80 -60.16 -45.73 92.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.52 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' ' 23' ' ' GLY . 98.2 m -62.59 -45.61 92.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.574 ' O ' HG23 ' A' ' 32' ' ' VAL . . . -65.28 -46.12 88.23 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.73 ' O ' HG13 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -65.4 -40.11 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.508 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.598 ' O ' HG22 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.862 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -64.27 -43.33 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.645 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.03 HG12 ' HE2' ' A' ' 36' ' ' LYS . 54.3 t -62.95 -46.15 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.715 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 29' ' ' VAL . 29.2 m -61.94 -43.55 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.943 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.54 ' O ' ' O ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.862 HD23 ' O ' ' A' ' 31' ' ' VAL . 3.1 mm? -62.3 -42.71 99.59 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.541 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 1.03 ' HE2' HG12 ' A' ' 32' ' ' VAL . 51.9 mtmt -65.11 -40.2 94.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.703 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.518 ' O ' ' O ' ' A' ' 38' ' ' CYS . 78.2 m-70 -117.58 -88.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.646 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 1.6 p . . . . . 0 C--O 1.218 -0.574 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.765 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.493 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.493 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 31.7 Cg_endo -64.83 -29.34 58.81 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 123.029 2.486 . . . . 0.0 112.25 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.41 ' HB ' ' O ' ' A' ' 1' ' ' ABA . 78.6 t -61.87 -47.48 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.595 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 90.9 m -67.02 -40.27 87.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.76 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.6 97.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.654 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 3' ' ' PRO . 51.1 t -65.18 -44.9 95.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.679 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.01 92.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.585 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.99 -37.92 89.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.86 -47.61 84.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.563 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.35 -39.04 93.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.98 86.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.625 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.723 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -62.4 -37.13 84.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.436 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.723 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 20' ' ' TRP . . . -91.62 -52.46 4.75 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.71 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -61.26 -49.97 74.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.622 ' N ' ' O ' ' A' ' 14' ' ' ALA . 82.0 m -60.09 -39.79 87.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.628 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.59 -65.27 1.74 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.579 ' O ' ' C ' ' A' ' 21' ' ' VAL . 40.9 m95 -60.23 -39.2 85.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.667 0.27 . . . . 0.0 110.71 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.848 ' O ' HG13 ' A' ' 21' ' ' VAL . 8.8 p 24.27 77.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.895 0.378 . . . . 0.0 110.59 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -76.52 28.67 1.5 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 21' ' ' VAL . . . 98.39 4.7 57.24 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.69 -34.55 90.24 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -65.64 -41.71 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.599 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.527 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 89.8 t80 -61.12 -44.48 97.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.378 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.656 ' O ' HG23 ' A' ' 31' ' ' VAL . 77.9 m -59.82 -48.14 82.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.515 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.526 ' O ' ' HB ' ' A' ' 32' ' ' VAL . . . -65.17 -41.26 97.03 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.95 ' O ' HG12 ' A' ' 33' ' ' VAL . 29.6 t -65.68 -45.13 92.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.73 0.3 . . . . 0.0 110.598 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.574 ' O ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 27' ' ' THR . 42.8 t -69.34 -44.12 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.744 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.61 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -61.75 -46.77 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.662 -179.467 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.95 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.4 p -62.65 -70.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.805 ' HB3' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' HA ' HD12 ' A' ' 35' ' ' LEU . 39.5 tp -61.74 -40.94 96.88 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.625 ' C ' ' CG ' ' A' ' 37' ' ' HIS . 98.7 mttt -80.41 -43.1 21.55 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.021 0.439 . . . . 0.0 110.608 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.663 ' CD2' ' N ' ' A' ' 37' ' ' HIS . 0.0 OUTLIER 161.94 107.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.008 -179.513 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.805 ' N ' ' HB3' ' A' ' 34' ' ' DAL . 48.0 m . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.354 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 1.128 ' HG2' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.606 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.606 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 43.9 Cg_exo -55.87 -46.89 28.14 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.639 2.226 . . . . 0.0 112.284 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.658 ' HB ' ' CG ' ' A' ' 1' ' ' ABA . 76.0 t -64.43 -43.48 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.254 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 1.128 ' N ' ' HG2' ' A' ' 1' ' ' ABA . 1.5 m -70.06 -41.19 74.48 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.81 -41.02 97.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.609 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 3' ' ' PRO . 52.4 t -63.09 -47.38 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.64 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.35 -40.42 89.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.656 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -64.31 -36.19 83.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.8 90.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.604 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.71 -17.02 30.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -63.95 -47.49 80.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.615 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 15' ' ' DHA . . . -65.04 -37.11 86.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.481 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' DHA . . . . . 0.73 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.616 ' O ' ' CD1' ' A' ' 20' ' ' TRP . . . -91.4 -44.46 9.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.871 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.804 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -62.43 -48.6 78.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.02 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.631 ' N ' ' O ' ' A' ' 14' ' ' ALA . 23.2 m -59.15 -48.89 79.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.46 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.12 -40.71 82.64 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.616 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 19.2 m0 -62.62 -37.89 88.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.682 0.277 . . . . 0.0 110.814 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 17' ' ' ALA . 54.6 t -60.41 122.96 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.934 0.397 . . . . 0.0 110.465 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.21 -13.34 3.55 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 21' ' ' VAL . . . -118.9 -66.16 0.3 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 20' ' ' TRP . . . -63.9 -37.16 94.24 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.773 HD13 HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -65.19 -44.19 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 110.671 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 86.6 t80 -62.05 -44.94 95.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.521 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.1 m -61.66 -46.54 89.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.31 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.42 -37.75 94.15 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.901 ' O ' HG12 ' A' ' 33' ' ' VAL . 30.3 t -65.73 -43.83 93.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.623 0.249 . . . . 0.0 110.721 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' DBU . . . . . 0.683 ' O ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 27' ' ' THR . 53.3 t -68.03 -47.3 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.682 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.587 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 49.7 t -64.59 -49.95 78.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.901 HG12 ' O ' ' A' ' 29' ' ' VAL . 1.3 p -46.37 -68.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.405 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' DAL . . . . . 0.619 ' O ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.9 mt -59.06 -34.44 71.95 Favored 'General case' 0 CA--C 1.523 -0.091 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.84 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 67.2 mmtt -62.46 -39.13 92.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.955 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -131.06 -54.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.306 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.679 ' OXT' ' SG ' ' A' ' 38' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.222 -0.381 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.966 -179.325 . . . . . . . . 2 2 . 1 stop_ save_